Publications
2017
Applications of gas phase cryogenic vibrational spectroscopy to characterize the CO2, CO, N2 and N2O interactions with the open coordination site on a Ni(I) macrocycle using dual cryogenic ion traps
J. Mol. Spectrosc., Vol. 332, pp. 117-123
DOI Link: 10.1016/j.jms.2016.11.015
Coordination-Dependent Spectrosocpic Signatures of Divalent Metal Ion Binding to Carboxylate Head Groups: H2-and He-Tagged Vibrational Spectra of M2+·RCO2– (M = Mg and Ca, R = -CD3, and -CD2CD3) Complexes
J. Phys. Chem. Lett., Vol. 8, pp. 484-488
DOI Link: 10.1021/acs.jpclett.6b02964
2016
Spectroscopic Snapshots of the Proton-transfer Mechanism in Water
Science, Vol. 354, (6316), pp. 1131-1135
DOI Link: 10.1126/science.aaf8425
Capture of CO2 by a Cationic NiI Complex in the Gas Phase and Characterization of the Bound Activated CO2 Molecule through Cryogenic Ion Vibrational Predissociation Spectroscopy
Angew. Chem., Int. Ed., Vol. 55, (4), pp. 1282-1285
DOI Link: 10.1002/anie.201507965
Characterization of the primary hydration shell of the hydroxide ion with H2 tagging vibrational spectroscopy of the OH¯(H2O)n=2,3 and OD¯(D2O)n=2,3 clusters
J. Chem. Phys., Vol. 145, pp. 134304
DOI Link: 10.1063/1.4962912
Catalytic Oxygen Evolution from Mn Complexes with an Oxidation-Resistant N,N,O-donor Ligand
ChemPlusChem, Vol. 81, (10), pp. 1129-1132
DOI Link: 10.1002/cplu.201600353
Gas Phase Vibrational Spectroscopy of the Protonated Water Pentamer: The Roll of Isomers and Nuclear Quantum Effects
Phys. Chem. Chem. Phys., Vol. 18, (38), pp. 26743-26754
DOI Link: 10.1039/C6CP05217G
Alkali-Controlled C–H Cleavage or N–C Bond Formation by N2-Derived Iron Nitrides and Imides
J. Am. Chem. Soc., Vol. 138, (35), pp. 11185-11191
DOI Link: 10.1021/jacs.6b04984
Isotopomer-selective Spectra of a Single Intact H2O Molecule in the Cs+(D2O)5H2O Isotopomers: Going Beyond Pattern Recognition to Harvest the Structural Information Encoded in Vibrational Spectra
J. Chem. Phys., Vol. 144, pp. 074305
DOI Link: 10.1063/1.4941285
2015
Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2-
J. Phys. Chem. A, Vol. 119, (52), pp. 13018-13024
DOI Link: 10.1021/acs.jpca.5b10649
Water Network-Mediated, Electron-Induced Proton Transfer in Anionic [C5H5N·(H2O)n]¯ Clusters
J. Chem. Phys., Vol. 143, pp. 144305
DOI Link: 10.1063/1.4931928
Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride
J. Am. Chem. Soc. (Communication), Vol. 137, (41), pp. 13220-13223
DOI Link: 10.1021/jacs.5b06841
Vibrational Signatures of Solvent-Mediated Deformation of the Ternary Core Ions in Size-Selected [MgSO4Mg(H2O)n=4-11]2+ Clusters
J. Phys. Chem. A., Vol. 119, (30), pp. 8294-8302
DOI Link: 10.1021/acs.jpca.5b04612
Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2-28 Clusters
J. Phys. Chem. A. (Feature Article), Vol. 119, (36), pp. 9425-9440
DOI Link: 10.1021/acs.jpca.5b04355
Persistence of Dual Free Internal Rotation in the Helium “Tagged” NH4+(H2O)∙Hen=0-3 Ion-Molecule Complexes: Expanding the Case for Quantum Delocalization in He Tagging
J. Phys. Chem. A, Vol. 119, pp. 4170-4176
DOI Link: 10.1021/acs.jpca.5b03114
Understanding the Ionic Liquid [NC4111][NTf2] from Individual Building Blocks: An IR-Spectroscopic Study
Phys. Chem. Chem. Phys., Vol. 17, pp. 8518-8529
DOI Link: 10.1039/C5CP00116A
Comparison of the local binding motifs in the imidazolium-based ionic liquids [EMIM][BF4] and [EMMIM][BF4] through cryogenic ion vibrational predissociation spectroscopy: Unraveling the roles of anharmonicity and intermolecular interactions
J. Chem. Phys., Vol. 142, pp. 064306
DOI Link: 10.1063/1.4907199
Thermodynamics of Water Dimer Dissocation in the Primary Hydration Shell of the Iodide Ion with Temperature-Dependent Vibrational Predissociation Spectroscopy
J. Phys. Chem. A, Vol. 119, pp. 1859-1866
DOI Link: 10.1021/jp510250n
2014
Site-Specific Vibrational Spectral Signatures of Water Molecules in the Magic H3O+(H2O)20 and Cs+(H2O)20 Clusters
Proc. Natl. Acad. Sci. USA, Vol. 111, (51), pp. 18132-18137
DOI Link: 10.1073/pnas.1420734111
From Quantum Mechanics to Molecular Mechanics: A Tribute to Kenneth D. Jordan
J. Phys. Chem. A, Vol. 118, (35), pp. 7167-7168
DOI Link: 10.1021/jp500588d