Publications

Independent Research at ISU

A complete and updated list of publications is also available at Google Scholar.

*Denotes corresponding author

2024

170. Wang Z., Robinson T.C., Gioffrè D., Rochlitz L., Gajan D., Rossini A.J., Copéret C., Lesage A.,* Natural Abundance 195Pt-13C Correlation NMR Spectroscopy on Surfaces Enabled by Fast MAS Dynamic Nuclear Polarization, J. Mag. Reson. Open, 2024, 21, 100167.

169. Carnahan S.L., Wagner M.L., Gi E., Santhiran A., Amerongen E., Hlova I., Dolotko O., Balema V.P., Yin H., Geisenhoff J.Q., Schimpf A.M., Vela J.*, Rossini A.J.* , Structural Studies of Alloyed and Nanoparticle Transition Metal Dichalcogenides by Selenium-77 Solid-State Nuclear Magnetic Resonance Spectroscopy, Chem. Mater., 2024, In Press.

168. Chatterjee P., Mi J. , Niu M. , Sun S., Rossini A.J., Stanley L.M., Huang W. Efficient Capture and Release of the Rare-Earth Element Neodymium in Aqueous Solution by Recyclable Covalent Organic Frameworks, J. Am. Chem. Soc., 2024, DOI:10.1021/jacs.4c06609.

167. Zhang Y., Liang R., Atterberry B.A., Li F., Staples R.J., Zhang J., Samanta J.,* Rossini A.J.,* Ke C. Ultra-dynamic Isoreticularly Expanded Porous Organic Crystals, J. Am. Chem. Soc., 2024, 146, 15525–15537, DOI:10.1021/jacs.4c04245.

166. Coschigano M.G., Gregory S.L., Catazaro J., Rossini A.J., Klausen R.S.* Poly(Cyclosilane) Postpolymerization Hydrosilylation, Macromolecules, 2024, 57, 4095–4106, DOI:10.1021/acs.macromol.3c02110.

165. Mi J., Chen Y., Atterberry B.A., Nordstrom F.L.,* Hirsh D.A.,* Rossini A.J.* Probing the Molecular and Macroscopic Structure of Solid Solutions by Dynamic Nuclear Polarization (DNP) Enhanced 13C and 15N Solid-State NMR Spectroscopy, Mol. Pharm., 2024, 21, 2949–2959, DOI:10.1021/acs.molpharmaceut.4c00083.

164. Carnahan S.L., Riemersma K.T., Hlova I., Dolotko O., Kmiec S.J., Lamahewage S.N.S., Martin S.W., Wishart J.F., Dubroca T., Balema V.P., Rossini A.J., Formation of Stable Radicals by Mechanochemistry and Their Application For Magic Angle Spinning Dynamic Nuclear Polarization Solid-State NMR Spectroscopy, J. Phys. Chem. A., 2024, 128, 3635–3645, DOI:10.1021/acs.jpca.4c00228.

163. Roth A.N., Porter A.P., Horger S., Ochoa-Romero, Guirado G., Rossini A.J., Vela J. Lead-Free Semiconductors: Phase-Evolution and Superior Stability of Multinary Tin Chalcohalides, Chem. Mater., 2024, 36, 4542–4552, DOI:10.1021/acs.chemmater.4c00209.

162. Sarkar A., Porter A.P., Viswanathan G., Yox P., Earnest R.A., Wang J., Rossini A.J., Kovnir K.,* BaCuTP2 (T = Al, Ga, In): A Semiconducting Black Sheep in the ThCr2Si2 Intermetallic Family, J. Mat. Chem. A., 2024, 12, 10481-10493, DOI:10.1039/D4TA01063A

161. Lamahewage S.N.S., Atterberry B.A., Dorn R.W., Gi E., Kimball M.R., Blümel J.,* Vela J., Rossini A.J.,* Accelerated Acquisition of Wideline Solid-State NMR Spectra of Spin 3/2 Nuclei by Indirect Detection, Phys. Chem. Chem. Phys., 2024, 26, 5081-5096, DOI:10.1039/D3CP05055F.

2023

160. Bhaskar G., Behera R.K., Gvozdetskyi V., Carnahan S.L., Ribeiro R.A., Oftedahl P., Ward C., Canfield P.C., Rossini A.J., Huang W., Zaikina J.V.,* Breaking new ground: MBene route towards selective vinyl double bond hydrogenation in nitroarenes, J. Am. Chem. Soc., 2023, DOI:10.1021/jacs.3c08642.

159. Dorn R.W., Carnahan S.L., Chen C.-Y., Pan L., Hao Z., , Rossini A.J.,* Dynamic Nuclear Polarization Enhanced 119Sn Solid-State NMR Spectroscopy for the Structural Characterization of Tin in Toothpaste, Nature Communications, 2023, DOI:10.1038/s41467-023-42816-z.

158. Roth A.N., Chen Y., Santhiran A., Opare-Addo J., Gi E., Smith E.A., Rossini A.J., Vela J.*, Designing Complex Pb3SBrxI4-x Chalcohalides: Tunable Emission Semiconductors through Halide-Mixing, Chemical Science, 2023, DOI:10.1039/D3SC02733C.

157. Biswas R.,* Chen Y., Vela J., Rossini A.J., Relativistic DFT Calculations of Cadmium and Selenium Solid-State NMR Spectra of CdSe Nanocrystal Surfaces, ACS Omega, 2023, DOI:10.1021/acsomega.3c07680.

156. Du C., Gregory P., Jamadgni D.U., Pauls A.M., Chang J.J., Dorn R.W., Martin A., Foster J.E., Rossini A.J., Thuo M.M.*, Spatially Directed Pyrolysis via Thermally Morphing Surface Adducts, Angew. Chem. Int. Ed., 2023, DOI:10.1002/anie.202308822.

155. Gupta A., Ondry J.C., Chen Y., Hudson M.H., Chen M., Schaller R.D., Rossini A.J., Talapin D.V.* Direct to Indirect Transition in Core-Shell In1-xGaxP/ZnS Colloidal Quantum Dots, J. Am. Chem. Soc., 2023, 145, 16429–16448, DOI:10.1021/jacs.3c02709.

154. Zhou C., Wang D., Lagunas F., Atterberry B.A., Hu H., Zhou Z., Filatov A.S., Rossini A.J., Klie R.F., Talapin D.V.* Hybrid organic-inorganic two-dimensional metal carbide MXenes with amido- and imido-terminated surfaces, Nature Chemistry, 2023, DOI:10.1038/s41557-023-01288-w.

153. Xiong Z., Andaraarachchi H.P., Held J.T., Dorn R.W., Jeong Y.-J., Rossini A.J., Kortshagen U.R.,* Inductively Coupled Nonthermal Plasma Synthesis of Size-Controlled γ-Al2O3 Nanocrystals, Nanomaterials, 2023, 13, 1627, DOI:10.3390/nano13101627.

152. Ryan B.J., Bhaskar G., Essner J.B., Bera A., Dorn R.W., Guo Y., Wang Q.H., Rossini A.J., Zaikina J.V., Roling L.T., Panthani M.G.,* Luminescent Silicon Nanosheet Paracrystals from Elemental- and Hydride-Based Syntheses of CaSi2 Precursors: Implications for Photonic and Optoelectronic Applications, ACS Appl. Nano Mater, 2023, 6, 10054–10063, DOI:10.1021/acsanm.3c00001.

151. Atterberry B.A., Wimmer E., Estes D.P., Rossini A.J.,* Acceleration of ¹⁹⁵Pt solid-state NMR experiments by sideband selective excitation or alternative indirect sampling schemes, J. Magn. Reson., 2023, 352, 107457, DOI: 10.1016/j.jmr.2023.107457.

150. Volkov A., Mi J., Lalit K., Chatterjee P., Jing D., Carnahan S.L., Rossini A.J., Huang W.,* Stanley L.M.,* A General Strategy for Incorporation of the Functional Group Handles into Covalent Organic Frameworks via the Ugi Reaction, J. Am. Chem. Soc., 2023, DOI:10.1021/jacs.2c12440.

149. Dorn R.W., Ryan B.J., Lamahewage S.N.S., Dodson M.V., Biswas R., Panthani M.G.*, Rossini A.J.*, Chlorination of Hydrogenated Silicon Nanosheets Revealed by Solid-State Nuclear Magnetic Resonance Spectroscopy, Chemistry of Materials, 2023, 35, 539–548, DOI:10.1021/acs.chemmater.2c02980.

2022

148. Zhang M., Samanta J., Atterberry B.A., Staples R., Rossini A.J., Ke C.* A Crosslinked Ionic Organic Framework for Efficient Iodine and Iodide Remediation in Water, Angew. Chem. Int. Ed., 2022, 61, e202214189, DOI:10.1002/anie.202214189.

147. Gi E., Chen Y., Wang X., Carnahan S.L., Rahman S., Smith E.A., Rossini A.J., Vela J.*, Chemical-Induced Slippage in Bulk WSe2, J. Phys. Chem. Lett., 2022, 13, 10924-10928, DOI:10.1021/acs.jpclett.2c02963.

146. Wang Z., Vӧlker L.A., Robinson T., Kaeffer N., Menzildjian G., Jabbour R., Venkatesh A., Gajan D., Rossini A.J.*, Copéret C.*, Lesage A.* Speciation and Structures in Pt Surface Sites Stabilized by N-Heterocyclic Carbene Ligands Revealed by DNP Enhanced Indirectly Detected 195Pt NMR Spectroscopic Signatures and Fingerprint Analysis, J. Am. Chem. Soc., 2022, 144, 21530–21543, DOI:10.1021/jacs.2c08300.

145. Dorn R.W., Mark L.O., Hung I., Cendejas M.C., Xu Y., Gor’kov P.L., Mao W., Ibrahim F., Gan Z.*, Hermans I.*, Rossini A.J.*, An Atomistic Picture of Boron Oxide Catalysts for Oxidative Dehydrogenation Revealed by Ultrahigh Field 11B–17O Solid-State NMR Spectroscopy, J. Am. Chem. Soc., 2022, 144, 18766–18771, DOI:10.1021/jacs.2c08237.

144. Samudrala K.K., Huynh W., Dorn R.W., Rossini A.J., Conley M.P.* Formation of a Strong Heterogeneous Aluminum Lewis Acid on Silica, Angew. Chem. Int. Ed., 2022, DOI:10.1002/anie.202205745.

143. Thomas B., Chang B.S., Chang J.J., Thuo M.*, Rossini A.J.*, Solid-State Nuclear Magnetic Resonance Spectroscopy Assisted Structure Determination of Coordination Polymers, Chem. Mater., 2022, DOI:10.1021/acs.chemmater.2c00593.

142. Medina-Gonzalez A., Yox P., Chen Y., Adamson M.A.S., Rosales B.A., Svay M., Smith E.A., Schaller R.D., Wu K., Rossini A.J., Kovnir K.,* Vela J.*, Solution Grown Ternary Semiconductors: Nanostructuring and Stereoelectronic Lone Pair Distortions in I-V-VI2 Materials, Chem. Mat., 2022, DOI:10.1021/acs.chemmater.2c01410.

141. Roth A.N., Chen Y., Adamson M.A.S., Gi E., Rossini A.J., and Vela J.*, Alkaline-Earth Chalcogenide Nanocrystals: Solution-Phase Synthesis, Surface Chemistry and Stability, ACS Nano, 2022, DOI: 10.1021/acsnano.2c02116.

140. Venkatesh A., Gioffrè D., Atterberry B., Rochlitz L., Carnahan S.L., Wang Z., Menzildijian G., Lesage A.,* Copéret C.,* Rossini A.J.* The Molecular and Electronic Structure of Isolated Platinum Sites Enabled by Expedient Measurement of ¹⁹⁵Pt Chemical Shift Anisotropy, J. Am. Chem. Soc., 2022, DOI:10.1021/jacs.2c02300.

139. Dorn R.W., Paterson A.L., Hung I., Gor’kov P.L., Thompson A., Sadow A.D., Gan Z., Rossini A.J.*, Dipolar Heteronuclear Correlation Solid-State NMR Experiments Between Half-Integer Quadrupolar Nuclei: The Case of ¹¹B-¹⁷O, J. Phys. Chem C., 2022, 126, DOI:10.1021/acs.jpcc.2c02737.

138. Dorn R.W., Wall B.J., Ferrence S.B., Norris S.R., Lubach J.W., Rossini A.J.*, VanVeller B.* Attached Nitrogen Tests by 13C-14N Solid-State NMR Spectroscopy for Structure Determination of Heterocyclic Isomers, Org. Lett., 2022, DOI: 10.1021/acs.orglett.2c01576. (Cover Article)

137. Bhaskar G., Gvozdetskyi V., Carnahan S.L., Wang R., Mantravadi A. Wu X., Ribeiro R.A., Huang W., Rossini A.J., Ho K.-M., Canfield P.C., Lebedev O.I., Zaikina J.V.,* The path less traveled: a contemporary twist on synthesis and structure solution of metastable LiNi12B8, ACS Materials Au, 2022, DOI:10.1021/acsmaterialsau.2c00033.

136. Yox P., Porter A., Dorn R.W., Kyveryga V., Rossini A.J., Kovnir K.* Semiconducting silicon-phosphorous frameworks for caging exotic polycations, Chem. Commun., 2022, DOI:10.1039/D2CC02304K.

135. Saraeian A., Gupta G., Johnson R.L., Dorn R.W., Kauffmann A.M., Alston Z., Roling L.T., Rossini A.J., Shanks B.H.*, Selectivity Modulation of Palladium Nanoparticles Through the Formation of Bimetallic Systems on Carbon-Metal Nanocomposite Supports, ACS Sust. Chem. Eng., 2022, 10, 7759–7771, DOI: 10.1021/acssuschemeng.2c02399.

134. Adeyemi A.N., Venkatesh A., Xiao C., Zhao Z., Li Y., Cox T., Jing D., Rossini A.J., Osterloh F.E., Zaikina J.V.*, Synthesis of Undoped and Doped SrTiO₃ via Deep Eutectic Solvent Route, Materials Advances, 2022, 3, 4736-4747, DOI:10.1039/D2MA00404F.

133. Daniels C., Gi E., Atterberry B.A., Blome-Fernández R., Rossini A.J., Vela J.* Phosphine Ligand Binding and Catalytic Activity of Group 10-14 Heterobimetallic Complexes, Inorganic Chemistry, 2022, 61, 6888–6897, DOI:10.1021/acs.inorgchem.2c00229.

132. Perras F.A.,* Carnahan S.L., Lo W.-S., Ward C., Yu J., Huang W., Rossini A.J. Hybrid quantum-classical simulations of magic angle spinning dynamic nuclear polarization in very large spin systems, J. Chem. Phys., 2022, 156, 124112, DOI:10.1063/5.0086530.

131. Carnahan S.L., Chen Y., Wishart J.F., Lubach J.W., Rossini A.J.*, Magic Angle Spinning Dynamic Nuclear Polarization Solid-State NMR Spectroscopy of γ-Irradiated Molecular Organic Solids, Solid State Nuclear Magnetic Resonance, 2022, 119, 101785, DOI:10.1016/j.ssnmr.2022.101785.

130. Gao J., Dorn R.W., Laurent, G.P., Perras F.A., Rossini A.J., Conley M.P.,* A Heterogeneous Pd-Catalyst for the Polymerization of Olefins Prepared by Halide Abstraction Using Surface R₃Si⁺ Species, Angew. Chem. Int. Ed., 2022, 61, e202117279, DOI:10.1002/anie.202117279.

129. Ji B., Wu K., Chen Y., Wang F., Rossini A.J., Zhang B.,* Wang J.* Ba6(CuxZy)Sn4S16(Z = Mg, Mn, Zn, Cd, In, Bi, Sn): High Chemical Flexibility Resulting in Good Nonlinear-Optical Properties, Inorg. Chem., 2022, 61, 2640–2651, DOI:10.1021/acs.inorgchem.1c03773.

128. Dorn R.W., Heintz P.M., Hung I., Chen K., Oh J.-S., Kim T.-H. Zhou L., Gan Z., Huang W.,* Rossini A.J.* The Atomic-Level Structure of Mesoporous Hexagonal Boron Nitride Determined by High-Resolution Solid-State Multinuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations, Chem. Mater., 2022, 34, 1649-1665, DOI: 10.1021/acs.chemmater.1c03791.

127. Atterberry B.A., Chen Y., Carnahan S.L., Venkatesh A., Rossini A.J.*, Double Echo Symmetry-Based REDOR and RESPDOR Pulse Sequences for Proton Detected Measurements of Heteronuclear Dipolar Coupling Constants, Journal of Magnetic Resonance, 2022, 336, 107147, DOI:10.1016/j.jmr.2022.107147. (Special Issue “New Voices in Magnetic Resonance”).

126. Lee S.J., Viswanathan G., Carnahan S.L., Harmer C.P., Akopov G., Rossini A.J., Miller G.J., Kovnir K.,* Add a Pinch of Tetrel: The Transformation of a Centrosymmetric Metal into a Nonsymmorphic and Chiral Semiconductor, Chem. Eur. J., 2022, 28, e202104319, DOI:10.1002/chem.202104319.

125. Samanta J.,* Dorn R.W., Zhang W.,* Jiang X., Zhang M., Staples R.,* Rossini A.J.,* Ke C.,* An Ultra-Dynamic Anion-Cluster-Based Organic Framework, Chem., 2022, 8, 253-267, doi.org/10.1016/j.chempr.2021.11.014.

2021

124. Medina-Gonzalez A., Yox P., Chen Y., Adamson M., Vey M., Smith E., Schaller R., Rossini A.J., Vela J.* Ternary ACd4P3 (A = Na, K) Nanocrystals via a Hydride Solution-Phase Route, Chem. Mater. Au, 2021, In Press, DOI:10.1021/acsmaterialsau.1c00018.

123. Culver D.B., Dorn R.W., Venkatesh A., Meeprasert J., Rossini A.J., Pidko E.A., Lipton A.S., Lief G.R.,* Conley M.P.,* Active Sites in a Heterogeneous Organometallic Catalyst for the Polymerization of Ethylene, ACS Central Science, 2021, 7, 1225-1231, 7, 1225-1231, doi.org/10.1021/acscentsci.1c00466.

122. Mark L.O., Dorn R.W., McDermott W.P., Agbi T.O., Altvater N.R., Cendejas M.C., Lebrón E.A., Rossini A.J.,* Hermans I.* Highly Selective Carbon-Supported Boron for Oxidative Dehydrogenation of Propane, ChemCatChem, 2021, 13, doi.org/10.1002/cctc.202100759.

121. Cendejas M.C., Dorn R.W., McDermott W.P., Lebrón E.A., Mark L.O., Rossini A.J.,* Hermans I.,* Controlled Grafting Synthesis of Silica-Supported Boron, J. Phys. Chem. C., 2021, 23, 12636–12649, DOI:10.1021/acs.jpcc.1c01899.

120. Boteju K., Venkatesh A., Wan S., Ellern A., Rossini A.J., Sadow A.D.* Ancillary Steric Effects on the Activation of SiH Bonds in Arylsilazido Rare Earth Compounds, Organometallics, 2021, 40, 1654–1669, DOI:10.1021/acs.organomet.1c00162.

119. Chen Y., Dorn R.W., Hanrahan M.P., Wei L., Blome-Fernández R., Medina-Gonzalez A.M., Adamson M.A.S., Flintgruber A.H., Vela J.*, Rossini A.J.* Revealing the Surface Structure of CdSe Nanocrystals by Dynamic Nuclear Polarization-Enhanced 77Se and 113Cd Solid-State NMR Spectroscopy., J. Am. Chem. Soc., 2021, 143, 8747-8760, DOI:10.1021/jacs.1c03162.

118. Venkatesh A., Perras F.A., Rossini A.J.* Proton-Detected Solid-State NMR Spectroscopy of High-CSA Spin-1/2 Nuclei, J. Magn. Reson., 2021, 327, 106983, doi.org/10.1016/j.jmr.2021.106983.

117. Bhaskar G., Gvozdetskyi V., Batuk M., Wiaderek K., Sun Y., Wang R., Zhang C., Carnahan S.L., Wu X., Ribeiro R., Bud’ko S., Canfield P.C., Huang W., Rossini A.J., Wang C.-Z., Ho K.-M., Hadermann J., Zaikina J.V.,* Topochemical deintercalation of Li from layered LiNiB: towards 2D MBene, J. Am. Chem. Soc., 2021, 143, 4213–4223, DOI: 10.1021/jacs.0c11397.

116. Lee S., Carnahan S.L., Akopov G., Yox P., Wang L.-L., Rossini A.J., Wu K., Kovnir K.*, Noncentrosymmetric Tetrel Pnictides RuSi4P4 and IrSi3P3: Nonlinear Optical Materials with Outstanding Laser Damage Threshold, Adv. Funct. Mat., 2021, 31, 2010293, DOI: 10.1002/adfm.202010293.

115. Hanrahan M.P., Stein J.L., Park N. Cossairt B.M.*, Rossini A.J.*, Elucidating the Location of Cd2+ in Post Synthetic Treated InP Quantum Dots Using DNP SENS, J. Phys. Chem. C., 2021, 125, 2956–2965, DOI:10.1021/acs.jpcc.0c09601.

114. Balema V.P.,* Hlova I.Z., Seyedi M., Carnahan S.L., Dolotko O., Pecharsky V.K., Rossini A.J., Luzinov I. *, Mechanochemical Depolymerization of Polystyrene Under Ambient Conditions, New J. Chem., 2021, 45, 2935-2938, DOI: 10.1039/D0NJ05984F.

113. Smock S.R., Chen. Y., Rossini A.J.*, Brutchey R.L.*, The Surface Chemistry and Structure of Colloidal Lead Halide Perovskite Nanocrystals, Accounts of Chemical Research, 2021, 54, 707–718, DOI:10.1021/acs.accounts.0c00741.

112. Gvozdetskyi V., Sun Y., Zhao X., Bhaskar G., Carnahan S.L., Harmer C.P., Zhang F., Ribeiro R. A., Canfield P.C., Rossini A.J., Wang C.-Z., Ho K.-M., Zaikina J.V.*, Lithium nickel borides: evolution of [NiB] layers driven by Li pressure, Inorg. Chem. Front., 2021, 8, 1675-1685, DOI: 10.1039/D0QI01150A.

111. Walz Mitra K., Chang C.H., Hanrahan M.P., Yang J., Tofan D., Holden W.M., Govind N., Seidler G.T., Rossini A.J., Velian A.*, Surface Functionalization of Black Phosphorus with Nitrenes: Identification of P=N Bonds Using Isotopic Labeling, Angew. Chem. Int. Ed., 2021, 60, 9127-9134, DOI: 10.1002/anie.202016033.

2020

110. Dorn R.W., Cendejas M.C., Chen K., Hung I., Altvater N.R., Gan Z., Ive Hermans I.,* Rossini A.J.* Structure Determination of Boron-Based Heterogeneous Catalysts for Oxidative Dehydrogenation With Ultra-High Field 35.2 T ¹¹B Solid-State NMR Spectroscopy, ACS Catalysis, 2020, 10, 13852–13866, DOI:10.1021/acscatal.0c03762.

109. Venkatesh A., Lund A., Rochlitz L., Jabbour R., Gordon C.P., Menzildjian G., Viger-Gravel J., Berruyer P., Gajan D., Copéret C.,* Lesage A.,* Rossini A.J.*,The Structure of Silica Supported Platinum Compounds Determined by DNP-SENS and Fast MAS 195Pt Solid-State NMR Spectroscopy, J. Am. Chem. Soc., 2020, 142, 18936–18945, DOI: 10.1021/jacs.0c09101.

108. Venkatesh A., Luan X., Hung I., Perras F.A., Huang W., Rossini A.J.* t1-Noise Eliminated Dipolar Heteronuclear Multiple Quantum Coherence Solid-State NMR Spectroscopy, Phys. Chem. Chem. Phys., 2020, 22, 20815-20828, DOI: 10.1039/D0CP03511D.

107. Chang B.S., Martin A., Thomas B., Li. A., Gong J., Rossini A.J.,* Thuo M.M.* Synthesis of Interface-Driven Tunable Bandgap Metal Oxides, ACS Materials Letters, 2020, 2, 1211-1217, DOI:10.1021/acsmaterialslett.0c00251.

106. Wang Z., Hanrahan M.P., Kobayashi T., Perras F.A, Chen Y., Engelke F., Reiter C., Purea A., Rossini A.J.,* Pruski M.* Combining Fast Magic Angle Spinning and Proton Detection with Dynamic Nuclear Polarization, Solid State Nuclear Magnetic Resonance, 2020, 109, 101685, DOI:10.1016/j.ssnmr.2020.101685.

105. Perras F.A.,* Raju M., Carnahan S.L., Akbarian D., van Duin A.C.T., Rossini A.J., Pruski M. Full-Scale Ab Initio Simulation of MAS-DNP, J. Phys. Chem. Lett., 2020, 11, 5655-5660, DOI:10.1021/acs.jpclett.0c00955.

104. Egner T.K., Naik P., An Y., Venkatesh A., Rossini A.J., Slowing I.I.,* Venditti V.* Atomic Resolution Details of Nanoparticle Catalyzed Reactions Revealed by Surface Contrast NMR, ChemPhysChem, 2020, 12, 4160-4166, DOI:10.1002/cctc.202000608.

103. Dolotko O., Hlova I.Z., Pathak A.K., Pecharsky V.K., Singh P., Johnson D.D., Boote B.W., Li J., Smith E.A., Carnahan S.L., Rossini A.J., Zhou L., Eastman E.M., Balema V.P.,* Unprecedented Generation of 3D-Heterostructures by Mechanochemical Disassembly and Re-Ordering of Incommensurate Metal Chalcogenides, Nature Communications, 2020, 11, 3005, DOI:10.1038/s41467-020-16672-0.

102. Wijesekara A.V., Venkatesh A., Lampkin B.J., VanVeller B., Lubach J.W.,* Nagapudi K.,* Hung I., Gor’kov P.L., Gan Z., Rossini A.J.,* Fast Acquisition of Proton Detected HETCOR Solid‐State NMR Spectra of Quadrupolar Nuclei and Rapid Measurement of NH Bond Lengths by Frequency Selective HMQC and RESPDOR Pulse Sequences, Chem. Eur. J., 2020, 26, 7881-7888, DOI:10.1002/chem.202000390.

101. Chen Y., Smock S.R., Flintgruber A.H., Perras F.A., Brutchey R.L.,* Rossini A.J.,* The Surface Termination of CsPbBr3 Perovskite Quantum Dots Determined by Solid-State NMR Spectroscopy, J. Am. Chem. Soc., 2020, 142, 6117-6127, DOI:10.1021/jacs.9b13396.

100. Dorn R.W., Ryan M.J., Goh T.W., Venkatesh A., Kim T.H., Zhou L., Huang W., Rossini A.J.* Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations, Chem. Mater., 2020, 32, 3109-3121, DOI:10.1021/acs.chemmater.0c00104.

99. Daniels C.L., Knobeloch M., Yox P., Adamson M.A.S., Chen Y., Dorn R.W., Wu H., Zhou G., Fan H., Rossini A.J., Vela J.* Intermetallic Nanocatalysts from Heterobimetallic 10–14 Pyridine-2-Thiolate Precursors, Organometallics, 2020, 39, 1092-1104, DOI:10.1021/acs.organomet.9b00803.

98. Altvater N.R., Dorn R.W., Cendejas M.C., McDermott W.P., Thomas B., Rossini A.J.,* Hermans I.* Boron MWW Zeolite: The Case Against Single Site ODH Catalysis, Angew. Chem. Int. Ed., 2020, 59, 6546-6550, DOI: 10.1002/anie.201914696.

97. Culver D.B., Venkatesh A., Huynh W., Rossini A.J., Conley M.P.* Transforming Silica into a Strong Brønsted Acid and Formation of Weak Ion-Pairs, Chemical Science, 2020, 11, 1510-1517, DOI: 10.1039/C9SC05904K.

96. Venkatesh A., Hung I., Boteju K.C., Sadow A.D., Gor’kov P.L., Gan Z., Rossini A.J.* Suppressing Homonuclear 1H Spin Diffusion in Fast MAS Heteronuclear Correlation Solid-State NMR Experiments, Solid State Nuclear Magnetic Resonance, 2020, 105, 101636, DOI: 10.1016/j.ssnmr.2019.101636.

95. Ryan B.J., Wang Y., Hanrahan M.P., Ramesh U., Nelson R.D., Nyamekye C., Whitehead B.S., Huang C., Wang J., Roling L.T., Smith E.A., Rossini A.J., Panthani M.G.* Silicene, Silicane, or Siloxene? Characterizing Silicon Nanosheets from Deintercalated Calcium Disilicide, Chem. Mater., 2020, 32, 795-804, DOI: 10.1021/acs.chemmater.9b04180. (Cover Article)

94. Love A.M., Cendejas M.C., Hanrahan M.P., Carnahan S.L., Uchupalanun P., Rossini A.J.*, Hermans I.* Grafting Chemistry as a Tool to Understand the Role of Alcohol Solvent on the Dispersion of Vanadium Oxide on Silica, Chem. Eur. J., 2020, 26, 1052-1063, DOI: 10.1002/chem.201904260.

2019

93. Johnson R.L., Perras F.A., Hanrahan M.P., Mellmer M., Garrison T.F., Kobayashi T., Dumesic J., Pruski M., Rossini A.J., Shanks B.H.* Condensed Phase Deactivation of Solid Brønsted Acids for Dehydration of Fructose to Hydroxymethylfurfural (HMF) via Fouling, ACS Catalysis, 2019, 9, 11568-11578, DOI: 10.1021/acscatal.9b03455,

92. Love A.M., Cendejas M.C., Thomas B., McDermott W.P., Uchupalanun P., Kruszynski C., Burt S.P., Agbi T., Rossini A.J.,* Hermans I.* Synthesis and Characterization of Silica Supported Boron Oxide Catalysts for the Oxidative Dehydrogenation of Propane, J. Phys. Chem. C, 2019, 123, 27000-27011, DOI: 10.1021/acs.jpcc.9b07429.

91. Dorn R.W., Marro E.A., Hanrahan M.P., Klausen R.S.,* Rossini A.J.* Investigating the Microstructure of Poly(Cyclosilane) by 29Si Solid-State NMR Spectroscopy and DFT Calculations, Chem. Mater., 2019, 31, 9168-9178, DOI: 10.1021/acs.chemmater.9b03606.

90. Hanrahan M.P., Chen Y., Blome-Fernandez R., Stein J.L., Pach G.F., Adamson M.A.S., Neale N.R., Cossairt B., Vela J., Rossini A.J.* Probing the Surface Structure of Semiconductor Nanoparticles by DNP SENS with Dielectric Support Materials, J. Am. Chem. Soc., 2019, 141, 15532-15546, DOI:10.1021/jacs.9b05509.

89. Gvozdetskyi V., Bhaskar G., Batuk M., Zhao X., Carnahan S.L., Hanrahan M.P., Ribeiro R.A., Canfield P.C., Rossini A.J., Wang C.-Z., Ho K.-M., Hadermann J., Zaikina J.V.* Computationally-driven discovery of 2D MBene layers in the family of LiNiB polymorphs, Angew. Chem. Int. Ed., 2019, 58, 15855 – 15862, DOI:10.1002/anie.201907499.

88. Carnahan S.L., Venkatesh A., Perras F.A., Wishart J.F. and Rossini A.J.* Magic Angle Spinning Dynamic Nuclear Polarization With Radicals Created by γ-Irradiation, J. Phys. Chem. Lett, 2019, 10, 4770-4776, DOI:10.1021/acs.jpclett.9b01655.

87. Chang B.S., Thomas B., Chen J., Tevis I., Oyola-Reynoso S., Çınar S., Venkatesh A., Rossini A.J.,* Thuo M.* Ambient Synthesis of Coordination Polymer Nanomaterials by in situ Heterogeneous Metal/Ligand reactions (HetMet), Nanoscale, 2019, 11, 14060-14069, DOI: 10.1039/C9NR05448K.

86. Venkatesh A., Wijesekara A.V., O’Dell L.A., Rossini. A.J.* Comment on “Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance”, ACS Nano, 2019, 13, 6130-6132, DOI:10.1021/acsnano.9b00221.

85. Hirsh D.A., Wijesekara A.V., Carnahan S.L., Hung I., Lubach J.W.,* Nagapudi K.,* Rossini A.J.* Rapid Characterization of Formulated Pharmaceuticals Using Fast MAS 1H Solid‑State NMR Spectroscopy, Mol. Pharm., 2019, 16, 3121-3132, DOI: 10.1021/acs.molpharmaceut.9b00343.

84. Mark J., Hanrahan M.P., Woo K.E., Lee S., Rossini A.J., Kovnir K.* Chemical and Electrochemical Lithiation of van der Waals Tetrel Arsenides, Chem. Eur. J., 2019, 25, 6392-6401, DOI: 10.1002/chem.201900339.

83. Gvozdetskyi V., Hanrahan M.P., Ribeiro R.A., Kim T., Zhou L., Rossini A.J., Canfield P.C., Zaikina J.V.* A Hydride Route to Alkali Metal Borides: A Case Study of Lithium Nickel Boride, Chem. Eur. J., 2019, 5, 4123 –4135, DOI:10.1002/chem.201805398.

82. Schmidt B.M., Pindwal A., Venkatesh A., Ellern A., Rossini A.J., Sadow A.D.*, Zwitterionic Trivalent (Alkyl)Lanthanide Complexes in Ziegler-type Butadiene Polymerization, ACS Catalysis, 2019, 9, 827–838, DOI:10.1021/acscatal.8b04025.

81. Carnahan S.L., Lampkin B.J., Naik P., Hanrahan M.P., Slowing I.I., Vanveller B., Wu G., Rossini A.J.* Probing O-H Bonding Through Proton Detected 1H-17O Double Resonance Solid-State NMR Spectroscopy, J. Am. Chem. Soc., 2019, 141, 441-450, DOI: 10.1021/jacs.8b10878.

80. Love A.M., Thomas B., Specht S.E., Hanrahan M.P., Venegas J.M., Burt S.P, Grant J.T., Cendejas M.C., McDermott W.P., Rossini A.J.,* Hermans I.* Probing the Transformation of Boron Nitride Catalysts under Oxidative Dehydrogenation Conditions, J. Am. Chem. Soc., 2019, 141, 181-190, DOI: 10.1021/jacs.8b08165.

79. Hanrahan M.P., Men L., Rosales B.A., Vela J.,* Rossini A.J.* Sensitivity-Enhanced ²⁰⁷Pb Solid-State NMR Spectroscopy for the Rapid, Non-Destructive Characterization of Organolead Halide Perovskites, Chem. Mater., 2018, 30, 7005-7015, DOI:10.1021/acs.chemmater.8b01899.

78. Stein J.L., Holden W., Venkatesh A., Mundy M.E., Rossini A.J., Seidler G.T.* and Cossairt B.M.* Probing Surface Defects of InP Quantum Dots Using Phosphorus Kα and Kβ X-ray Emission Spectroscopy, Chem. Mater., 2018, 30, 6377-6388, DOI: 10.1021/acs.chemmater.8b02590.

77. White M.A., Baumler K.J., Chen Y., Venkatesh A., Medina-Gonzalez A.M., Rossini A.J., Zaikina J.V., Chan E.M., Vela J.* Expanding the I-II-V Phase Space: Soft Synthesis Investigation of Polytypic Ternary and Binary Zinc Antimonides, Chem. Mater., 2018, 30, 6173-6182, DOI: 10.1021/acs.chemmater.8b02910.

76. Rossini A.J.* Materials Characterization by Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy, J. Phys. Chem. Lett., 2018, 9, 5150–5159, DOI: 10.1021/acs.jpclett.8b01891. (Invited Perspective)

75. Nguyen Y., Lampkin B., Venkatesh A., Ellern A., Rossini A.J., VanVeller B.* Open Resonance Assisted Hydrogen Bonds and Competing Quasiaromaticity, J. Org. Chem, 83, 9850–9857, DOI: 10.1021/acs.joc.8b01331.

74. Venkatesh A., Ryan M.J., Biswas A.,Boteju K.C., Sadow A.D., Rossini A.J.* Enhancing the Sensitivity of Solid-State NMR Experiments with Very Low-Gyromagnetic Ratio Nuclei with Fast MAS and Proton Detection, J. Phys. Chem. A, 2018, 122, 5635–5643, DOI: 10.1021/acs.jpca.8b05107.

73. Boteju K.C., Wan S., Venkatesh A., Ellern A., Rossini A.J., Sadow A.D.* Rare Earth Arylsilazido Compounds with Inequivalent Secondary Interactions, Chem. Commun., 2018, 54, 7318-7321, DOI: 10.1039/C8CC03186J.

72. Zhao L., Hanrahan M.P, Chakravarty P., DiPasquale A.G., Sirois L.E., Nagapudi K.,* Lubach J.W.,* Rossini A.J.* Characterization of Pharmaceutical Cocrystals and Salts by Dynamic Nuclear Polarization-Enhanced Solid-State NMR Spectroscopy, Cryst. Growth Des., 2018, 18, 2588–2601, DOI: 10.1021/acs.cgd.8b00203.

71. Pfennig T., Chemburkar A., Johnson R.L., Ryan M.J., Rossini A.J., Matthew Neurock, Shanks B.H.*, Modulating Activity and Selectivity of 2-Pyrone-Derived Bicyclic Lactones Through Choice of Catalyst and Solvent, ACS Catalysis, 2018, 8, 2450-2463, DOI: 10.1021/acscatal.7b04311.

70. Zhao Li, Pinon A.C., Emsley L., Rossini A.J.* DNP-Enhanced Solid-State NMR Spectroscopy of Active Pharmaceutical Ingredients, Magn. Reson. Chem., 2018, In Press, DOI: 10.1002/mrc.4688. (Special Issue on Hyper-polarization)

69. Hanrahan M.P., Fought E.L., Windus T.L., Wheeler L.M., Anderson N.C., Neale N.R.*, Rossini A.J.* Characterization of Silicon Nanocrystal Surfaces by Multidimensional Solid-State NMR Spectroscopy, Chem. Mater., 2017, 29, 10339–10351, DOI: 10.1021/acs.chemmater.7b03306.

68. Hanrahan M.P., Venkatesh A., Carnahan S., Calahan J.L., Lubach J., Munson E.J.,* Rossini A.J.* Enhancing the Resolution of 1H and 13C Solid-State NMR Spectra by Reduction of Anisotropic Bulk Magnetic Susceptibility Broadening, Phys. Chem. Chem. Phys, 2017, 19, 28153-28162, DOI: 10.1039/C7CP04223J.

67. Carrero C.A., Burt S.P., Huang F., Venegas J.M., Love A.M., Mueller P., Zhu H., Grant J.T., Mathison R., Hanrahan M.P., Rossini A.J., Ball M., Dumesic J., Hermans I.* Supported Two- and Three-Dimensional Vanadium Oxide Species on the Surface of β-SiC, Catal. Sci. Techn., 2017, 7, 3707–3714, DOI:10.1039/C7CY01036B.

66. Johnson R.L., Hanrahan M.P., Mellmer M.A., Dumesic J.A., Rossini A.J., Shanks B.H.* The Solvent-Solid Interface of Acid Catalysts Studied by High Resolution MAS NMR, J. Phys. Chem. C, 2017, 121, 17226–17234, DOI: 10.1021/acs.jpcc.7b04102.

65. Nan H., Zhang C., Venkatesh A., Rossini A.J., Anderson J.L.* Argentation gas chromatography revisited: Separation of light olefin/paraffin mixtures using silver-based ionic liquid stationary phases, J. Chromatogr. A, 2017, 1523, 316-320, DOI:10.1016/j.chroma.2017.06.024

64. Venkatesh A., Hanrahan M.P., Rossini A.J.* Proton Detection of MAS Solid-State NMR Spectra of Half-Integer Quadrupolar Nuclei, Solid State Nuclear Magnetic Resonance, 2017, 84, 171-181, DOI:10.1016/j.ssnmr.2017.03.005.

63. Rosales B.A., Hanrahan M.P., Boote B.W., Rossini A.J.,* Smith E.A.,* Vela J.* Lead Halide Perovskites: Challenges and Opportunities in Advanced Synthesis and Spectroscopy, ACS Energy Letters, 2017, 2, 906-914, DOI: 10.1021/acsenergylett.6b00674.

62. Perras F.A., Venkatesh A., Hanrahan M.P., Goh T.W., Huang W., Rossini A.J., Pruski M.* Indirect Detection of Infinite-Speed MAS Solid-State NMR Spectra, J. Magn. Reson., 2017, 276, 95-102, DOI:10.1016/j.jmr.2017.01.010. (Cover Article)

61. Nelson N.C., Boote B.W., Rossini A.J., Smith E.A., Slowing I.I.* Transfer Hydrogenation Activity over Sodium-Modified Ceria: Enrichment of Redox Sites Active for Alcohol Dehydrogenation, J. Catal., 2017, 346, 180-187, DOI: 10.1016/j.jcat.2016.12.018.

60. Hirsh D.A., Rossini A.J.,* Emlsey L., Schurko R.W.,* 35Cl Dynamic Nuclear Polarization Solid-State NMR of Active Pharmaceutical Ingredients, Physical Chemistry Chemical Physics, 2016, 18, 25893-25904, DOI: 10.1039/C6CP04353D.

59. Rossini A.J.,* Hanrahan M.P., Thuo M., Rapid Acquisition of Wideline MAS Solid-state NMR Spectra with Fast MAS, Proton Detection, and Dipolar HMQC Pulse Sequences, Physical Chemistry Chemical Physics, 2016, 18, 25284-25295, DOI: 10.1039/C6CP04279A.

58. Rosales B.A., Men L., Cady S.D., Hanrahan M.P., Rossini A.J., Vela J.*, Persistent Dopants and Amorphous Phases in Organolead Halide Perovskites, Chemistry of Materials, 2016, 28 , 6848-6859, DOI: 10.1021/acs.chemmater.6b01874.

Publications From Post-Doc, PhD and Undergraduate Work:

57. Avalos C.E., Richert S., Socie E., Karthikeyan G., Casano G., Stevanato G., Kubicki D.J., Moser J.E., Timmel C.R., Lelli M., Rossini A.J., Ouari O.,* Emsley L.* Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene-Trityl Radical, J. Phys. Chem. A, 2020, 124, 6068-6075, DOI:10.1021/acs.jpca.0c03498.

56. Walder B.J., Berk C., Liao W.-C., Rossini A.J., Schwarzwälder M., Pradere U., Hall J., Lesage A., Copéret C., Emsley L.* One- and Two-Dimensional High-Resolution NMR from Flat Surfaces, 2019, ACS Central Science, 5, 515–523, DOI: 10.1021/acscentsci.8b00916.

55. Wisser D., Karthikeyan G., Lund A., Casano G., Karoui H., Yulikov M., Menzildjian G., Pinon A.C., Purea A., Engelke F., Chaudhari S.R., Kubicki D., Rossini A.J., Gajan D., Copéret C., Jeschke G., Lelli M.,* Emsley L.,* Lesage A.,* Ouari O.* BDPA-Nitroxide Biradicals for Efficient Dynamic Nuclear Polarization Enhanced Solid-State NMR at Magnetic Fields up to 21.1 T, J. Am. Chem. Soc., 2018, 140, 13340-13349, DOI: 10.1021/jacs.8b08081.

54. Viger-Gravel J., Schantz A., Pinon A.C., Rossini A.J., Schantz S., Emsley L. Structure of Lipid Nanoparticles Containing siRNA or mRNA by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy, J. Phys. Chem. B., 2018, 122, 2073-2081, DOI: 10.1021/acs.jpcb.7b10795.

53. James J., Haies I., Lelli M., Rossini A.J., Kuprov I., Carravetta M. and Williamson P. Measurement of 14N Quadrupole Couplings in Biomolecular Solids Using Indirect-Detection 14N Solid-State NMR with DNP, Chem. Commun., 2017, 53, 12116-12119, DOI: 10.1039/c7cc03462h.

52. Pinon A.C., Schlagnitweit J., Berruyer P., Rossini A.J., Lelli M., Socie E., Tang M., Pham T.N., Lesage A., Schantz S. and Lyndon Emsley. Measuring Nano to Micro Structures From Relayed DNP NMR, J. Phys. Chem. C, 2017, 121, 15993–16005, DOI: 10.1021/acs.jpcc.

51. Kumar A., Walder B.J., Aslam K.M., Hofstetter A., Bhuvanesh S., Rossini A.J., Scrivener K., Emsley L., Bowen P. The Atomic-Level Structure of Cementitious Calcium Silicate Hydrate, J. Phys. Chem. C., 2017, 121, 17188–17196, DOI: 10.1021/acs.jpcc.7b02439.

50. Delley M.F., Lapadula G., Nunez-Zarur F., Comas-Vives A., Kalendra V., Jeschke G., Baabe D., Walter M.D., Rossini A.J., Lesage A., Emsley L., Maury O. and Copéret C. Local Structures and Heterogeneity of Silica-Supported M(III) Sites Evidenced by EPR, IR, NMR and Luminescence Spectroscopies, J. Am. Chem. Soc., 2017, 39, 8855–8867, DOI: 10.1021/jacs.7b02179.

49. Yarava J.R., Chaudhari S.R., Rossini A.J., Lesage A., Emsley L. Solvent Suppression in DNP Enhanced Solid State NMR, J. Magn. Reson., 2017, 277, 149–153, DOI:10.1016/j.jmr.2017.02.016.

48. Ji X., Bornet A., Vuichod B., Milani J., Gajan D., Rossini A.J., Emsley L., Bodenhausen G., Jannin S. Transportable Hyperpolarized Metabolites, Nature Communications, 2017, Article 13975, DOI:10.1038/ncomms13975.

47. Alphazan T., Mathey L., Schwarzwälder M., Lin T.-H., Rossini A.J., Wischert R., Enyedi V., Fontaine H., Veillerot M., Lesage A., Emsley L., Veyre L., Martin F., Thieuleux C., Copéret C., Monolayer Doping of Silicon through Grafting a Tailored Molecular Phosphorus Precursor onto Oxide-Passivated Silicon Surfaces, Chemistry of Materials, 2016, 28, 3634–3640.

46. Wolf P., Valla M., , Núñez-Zarur F., Comas-Vives A., Rossini A.J., Firth C., Kallas H., Lesage A., Emsley L., Copéret C., Hermans I. Correlating Synthetic Methods, Morphology, Atomic-Level Structure and Catalytic Activity of Sn-β Catalysts, ACS Catalysis, 2016, 6, 4047–4063.

45. Leclaire J., Poisson G., Ziarelli F., Pepe G., Fotiadu F., Paruzzo F.M., Rossini A.J., Dumez J.-N., Elena-Herrmann B. and Emsley L. Structure Elucidation of a Complex CO2-based Organic Framework Material by NMR Crystallography, Chemical Science, 2016, 7, 4379-4390.

44. Kubicki D.J., Casano G., Schwarzwälder M., Abel S., Sauvée C., Ganesan K., Yulikov M., Rossini A.J., Jeschke G., Copéret C., Lesage A., Tordo P., Ouari O., Emsley L., Rational Design of Dinitroxide Biradicals for Efficient Cross-Effect Dynamic Nuclear Polarization, Chemical Science, 2016, 7, 550-558.

43. Lelli M., Chaudari S., Gajan D., Casano G., Rossini A.J., Ouari O., Tordo P., Lesage A., Emsley L. Solid-State Dynamic Nuclear Polarization at 9.4 and 18.8 T from 100 K to Room Temperature, J. Am. Chem. Soc., 2015, 137, 14558–14561.

42. Piveteau L., Ong T.-C., Rossini A.J., Emsley L., Copéret C., Kovalenko M.K. The Structure of Colloidal Quantum Dots from Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy, J. Am. Chem. Soc., 2015, 137, 13964–13971.

41. Pinon A.C., Rossini A.J., Widdifield C.M., Gajan D., and Emsley L. Polymorphs of Theophylline Characterized by DNP Enhanced Solid-State NMR, Mol. Pharm., 2015, 12, 4146–4153.

40. Rossini A.J., Schlagnitweit J., Lesage A., and Emsley L. High-Resolution NMR of Hydrogen in Organic Solids by DNP Enhanced Natural Abundance Deuterium Spectroscopy, J. Magn. Reson., 2015, 259, 192-198.

39. Valla M., Rossini A.J., Caillot M., Chizallet C., Raybaud P., Digne M., Chaumonnot A., Lesage A., Emsley L., van Bokhoven J.A., and Copéret C. Atomic Description of the Interface Between Silica and Alumina in Aluminosilicates Through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations, J. Am. Chem. Soc., 2015, 137, 10710-10719.

38. Sangodkar R.P., Smith B.J., Gajan D., Rossini A.J., Roberts L.R., Funkhouser G.P., Lesage A., Emsley L., Chmelka B.F. Influences of Dilute Organic Adsorbates on the Hydration of Low-Surface-Area Silicates, J. Am. Chem. Soc., 2015, 137, 8096-8112.

37. D’Elia V., Dong H., Rossini A.J., Widdifield C.M., Vummaleti S.V.C., Minenkov Y., Poater A., Abou-Hamad E., Pelletier J.D.A., Cavallo L., Emsley L., and Basset J.-M. Cooperative Effect by Monopodal Surface Niobium Complexes Enhancing Cyclic Carbonate Production, J. Am. Chem. Soc., 2015, 137, 7728-7739.

36. Protesescu L., Nachtegaal M., Voznyy O., Borovinskaya O., Rossini A.J., Emsley L., Coperet C., Günther D., Sargent E.H., Kovalenko M.V. Atomistic Description of Thiostannate-Capped CdSe nanocrystals: Retention of Four-coordinate SnS4 motif and Preservation of Cd-rich Stoichiometry, J. Am. Chem. Soc.,2015, 137, 1862-1874.

35. Kubicki D.J., Rossini A.J., Purea A., Zagdoun A., Ouari O., Tordo P., Engelke F., Lesage A., Emsley L. Amplifying Dynamic Nuclear Polarization of Frozen Solutions by Incorporating Dielectric Particles, J. Am. Chem. Soc., 2014, 135, 15711-15718.

34. Segal-Peretz T., Jahnke J.P., Berenson A., Neeman L., Oron D., Rossini A.J., Chmelka B.F., Gitt F.L. Understanding and Promoting Molecular Interactions and Charge Transfer in Dye-Mediated Hybrid Photovoltaic Materials, J. Phys. Chem. C., 2014, 118, 25374-25391.

33. Rossini A.J., Hildebrand M.P., Hazendonk P.A., Schurko R.W. Multinuclear Solid-State NMR Studies of Polymer-Supported Scandium Triflate Catalysts, J. Phys. Chem. C., 2014, 118, 22649-22662.

32. Wolf P., Valla M., Rossini A.J., Comas-Vives A., Núñez-Zarur F., Malaman B., Lesage A., Emsley L., Copéret C., Hermans I. NMR Signatures of the Active Sites in Sn–β Zeolite, Angew. Chem. Int. Ed., 2014, 53, 10179-10183.

31. Conley M.P., Rossini A.J., Vives A.C., Valla M., Cassano G., Ouari O., Tordo P., Lesage A., Emsley L., Copéret C. Silica Surface Reorganization During Organotin Grafting Evidenced by 119Sn DNP SENS: A Tandem Reaction of gem-silanols and Strained Siloxane Bridges, Phys. Chem. Chem. Phys., 2014, 16, 17822-17827.

30. Lelli M., Rossini A.J., Ouari O., Tordo P., Lesage A., Emsley L. Hydrophobic Radicals Embedded in Neutral Surfactants for Dynamic Nuclear Polarization of Aqueous Environments at 9.4 Tesla, Chem. Comm., 2014, 50, 10198-10201.

29. Rossini A.J., Emsley L., O’Dell L.A. Dynamic Nuclear Polarization Enhanced 14N Overtone Spectroscopy, Phys.Chem. Chem. Phys., 2014, 16, 12890-12899.

28. Protesescu L., Rossini A.J., Kriegner D., Valla M., Reiss P., de Kargommeaux A., Walter M., Kravchyk K., Nachtegaal M., Stangl J., Malaman B., Lesage A., Emsley L., Coperet C., Kovalenko M. Unraveling the Core-Shell Structure of Organic and Inorganic Passivated Sn/SnOx Nanoparticles by Dynamic Nuclear Polarization Surface Enhanced NMR, Mossbauer and X-ray Absorption Spectroscopies, ACS Nano, 2014, 8, 2639-2648.

27. Rossini A.J., Widdifield C.M., Zagdoun A., Lelli M., Schwarzwälder M., Copéret C., Lesage A., Emsley L. DNP Enhanced NMR Spectroscopy for Pharmaceutical Formulations, J. Am. Chem. Soc., 2014, 136, 2324-2334.

26. Samantaray M.K., Callens E., Abou-Hamad E., Rossini A.J., Widdifield C.M., Dey R., Emsley L. and Basset J.M. WMe6 Tamed by Silica: Efficient Well-Defined Catalyst ≡Si-O-WMe5 for Alkane metathesis: Synthesis and Identification of Supported W-Methylidyne Species, J. Am. Chem. Soc., 2014, 136, 1054-1061.

25. Ferrara C., Tealdi C., Pedone A., Menziani C., Rossini A.J., Pintacuda G., Mustarelli P., Local versus average structure in LaSrAl3O7: a NMR and DFT investigation. J. Phys. Chem. C,2013, 117, 23451-23458.

24. Gajan D., Schwarzwälder M., Conley M.P., Gruening W., Rossini A.J.; Zagdoun A., Lelli M.,Yulikov M., Jeschke G., Sauvée C., Ouari O., Tordo P., Veyre L., Lesage A., Thieuleux C., Emsley L., Copéret, Christophe. Solid-phase DNP Polarizing Matrices from Homogeneously Distributed Radicals in Mesostructured Hybrid Silica Materials, J. Am. Chem. Soc., 2013, 135, 15459-15466.

23. Conley M.P., Drost R.M., Baffert M., Gajan D., Elsevier C., Franks W.T., Oschkinat H., Veyre L., Zagdoun A., Rossini A.J., Lelli M., Casano G., Ouari O., Tordo P., Lesage A., Emsley L., Copéret C., Thieuleux C., A well-defined Pd-hybrid material for the Z-selective semi-hydrogenation of alkynes characterized at the molecular level by DNP SENS, Chem. Eur. J., 2013, 19, 12234-12238.

22. Zagdoun A., Casano G., Ouari O., Schwarzwälder M., Rossini A.J., Aussenac F., Yulikov M., Jeschke G., Copéret C., Lesage A., Tordo P., Emsley L. Large Molecular Weight Nitroxide Biradicals Providing Efficient Dynamic Nuclear Polarization at Temperatures up to 200 K, J. Am. Chem. Soc., 2013, 135, 12790-12797.

21. Rossini A.J., Zagdoun A., Lelli M., Lesage A., Copéret C., Emsley L. Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy, Acc. Chem. Res., 2013, 46, 1942-1951. (Special Issue on Solid-state NMR)

20. Grüning W.R., Rossini A.J., Gajan D., Lesage A., Emsley L., Copéret C. Molecular-Level Characterization of the Structure and the Surface Chemistry of Periodic Mesoporous Organosilicates by DNP-Surface Enhanced NMR Spectroscopy, Phys. Chem. Chem. Phys., 2013, 15, 13270-13274.

19. Rossini A.J., Macgregor A.W., Smith A.S., Schatte G., Schurko R.W., Briand G.G. Structural Variation in Ethylenediamine and -Diphosphine Adducts of (2,6-Me2C6H3S)2Pb: A Single Crystal X-ray Diffraction and 207Pb Solid-State NMR Spectroscopy Study, Dalton. Trans., 2013, 42, 9533-9546

18. Sun M., Abou-Hamad E., Rossini A.J., Zhang J., Lesage A., Zhu H., Pelletier J., Emsley L., Caps V. and Basset J.-M. Methane Reacts with Heteropolyacids Chemisorbed on Silica to Produce Acetic Acid under Soft Conditions, J. Am. Chem. Soc.,2013, 135, 804-810.

17. Zagdoun A., Rossini A.J., Conley M.P., Grüning W., Schwarzwälder M., Franks T.W., Oschkinat H., Copéret C., Lesage A., Emsley L. Improved DNP Surface Enhanced NMR Spectroscopy through Controlled Incorporation of Deuterated Functionalities, Angew. Chem. Int. Ed., 2013, 52,1222-1225.

16. Rossini A.J., Zagdoun A., Hegner F.S., Schwarzwälder M., Gajan D., Copéret C., Lesage A., Emsley L. Dynamic Nuclear Polarization NMR Spectroscopy of Microcrystalline Solids, J. Am. Chem. Soc., 2012, 134, 16899-16908. (JACS Spotlight, J. Am. Chem. Soc., 2012, 134, 17840-17841.

15. Macdonald C.L.B., Bandyopadhyay R., Cooper, B.F.T, Friedl W., Rossini A.J., Schurko R.W., Eichhorn S., Herber R. Experimental and Computational Insights Into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands, J. Am. Chem. Soc., 2012, 134, 4432-4345.

14. Zagdoun A., Casano G., Ouari O., Lapadula G., Rossini A.J., Lelli M., Baffert M., Gajan D., Veyre L., Maas W.E., Rosay M., Weber R.T., Thieuleux C., Copéret C., Lesage A., Tordo P., Emsley L. A Slowly Relaxing Rigid Biradical for Efficient DNP Surface Enhanced NMR Spectroscopy: Expeditious Characterization of Functional Group Manipulation in Hybrid Materials, J. Am. Chem. Soc., 2012, 134, 2248-2291.

13. Vitzthum V., Miéville P., Carnevale D., Caporini M.A., Gajan D., Copéret C., Lelli M., Zagdoun A., Rossini A.J., Lesage A., Emsley L. and Bodenhausen G. Dynamic Nuclear Polarization of Quadrupolar Nuclei Using Cross Polarization from Protons: Surface-Enhanced Aluminum-27 NMR, Chem. Commun., 2012, 48, 1988-1990.

12. Rossini A.J., Zagdoun A., Lelli M., Canivet J., Aguado S., Ouari O., Tordo P., Rosay M., Maas W.E., Copéret C., Farrusseng D., Emsley L., Lesage A. Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy of Functionalized Metal-Organic Frameworks, Angew. Chem-Int. Ed., 2012, 51, 123-127.

11. Zagdoun A., Rossini A.J., Gajan D., Bourdolle A., Ouari O., Rosay M., Maas W.E., Tordo P., Lelli M., Emsley L., Lesage A. and Copéret C. Non-Aqueous Solvents for Surface Enhanced Dynamic Nuclear Polarization Spectroscopy. Chem. Commun., 2012, 48, 654-656. (Cover Article)

10. Rossini A.J., Zagdoun A., Lelli M., Gajan D., Rascón F., Rosay M., Maas W. E., Copéret C., Lesage A., Emsley L., One Hundred Fold Overall Sensitivity Enhancements for Silicon-29 NMR Spectroscopy of Surfaces by Dynamic Nuclear Polarization with CPMG Acquisition, Chem. Sci., 2012, 3, 108-115.

9. Rossini A.J., Hung I., Johnson S.A., Mensch M., Slebodnick, C., Deck P.A. and Schurko R.W. Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors. J. Am. Chem. Soc., 2010, 132, 18301–18317.

8. Rossini A.J., Hung I., and Schurko R.W. Solid-state 47/49Ti NMR of Titanocene Chlorides. J. Phys. Chem. Lett, 2010, 1, 2989–2998.

7. Rossini A.J., Hamaed H., Schurko R.W. The Application of Frequency Swept Pulses for the Acquisition of Nuclear Quadrupole Resonance Spectra. J. Magn. Reson., 2010, 206, 32–40.

6. Bandyopadhyay, R., Cooper, B.F.T., Rossini, A.J., Schurko, R.W., Macdonald, C.L.B. Crown Ether Complexes of Tin(II) Trifluoromethane-sulfonate. J. Organomet. Chem., 2010, 695, 1012–1018.

5. Rossini A.J., Mills R.W., Briscoe G.A., Norton E.L., Geier S.J., Hung I., Zheng S., Autschbach J., Schurko R.W. Solid-State Chlorine NMR of Group IV Transition Metal Organometallic Complexes. J. Am. Chem. Soc., 2009, 131, 3317–3330.

4. O’Dell L.A., Rossini A.J., and Schurko R.W. Acquisition of Ultra-Wideline NMR Spectra from Quadrupolar Nuclei by Frequency-Stepped WURST-QCPMG. Chem. Phys. Lett., 2009, 468, 330-335.

3. Briand G.G., Smith A.D., Schatte G., Rossini A.J., Schurko R.W. Probing Lead(II) Bonding Environments in 4-Substituted Pyridine Adducts of (2,6-Me2C6H3S)2Pb: An X-ray Structural and Solid-State 207Pb NMR Study. Inorg. Chem., 2007, 46, 8625-8637.

2. Rossini A.J. and Schurko R.W. Experimental and Theoretical Studies of 45Sc NMR Interactions in Solids. J. Am. Chem. Soc., 2006, 128, 10391-10402.

1. Hung I., Rossini A.J., and Schurko, R.W. Application of the Carr-Purcell Meiboom-Gill Pulse Sequence for the Acquisition of Solid-State NMR Spectra of Spin-1/2 Nuclei. J. Phys. Chem. A, 2004, 108, 7112-7120.

Publications

Independent Research at ISU

2018

2017

2004 – 2016

Publications From Post-Doc, PhD and Undergraduate Work: