Publications
2015
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
Microhydration of Contact Ion Pairs in M2+OH-(H2O)n=1-5 (M=Mg, Ca) Clusters: Spectral Manifestation of a Mobile Proton Defect in the First Hydration Shell
J. Phys. Chem. A, Vol. 118, pp. 7590-7597
DOI Link: 10.1021/jp504139j
Vibrational spectral signature of the proton defect in the three-dimensional H+(H2O)21 cluster
Science, Vol. 344, (6187), pp. 1009-1012
DOI Link: 10.1126/science.1253788
Ion Mobility Spectrometry, Infrared Dissociation Spectroscopy and ab initio Computations towards Structural Characterization of the Deprotonated Leucine Enkephalin Peptide Anion in the Gas-Phase
J. Phys. Chem. A, Vol. 118, pp. 8453
DOI Link: 10.1021/jp501772d
Communication: He-tagged vibrational spectra of the SarGlyH+ and H+(H2O)2,3 ions: Quantifying Tag Effects in Cryogenic Ion Vibrational Predissociation (CIVP) spectroscopy
J. Chem. Phys., Vol. 140, pp. 221101
DOI Link: 10.1063/1.4880475
On the Character of the Cyclic Ionic H-Bond in Cryogenically Cooled Deprotonated Cysteine
Phys. Chem. Chem. Phys., Vol. 16, pp. 4569
DOI Link: 10.1039/C3CP54117G
Modes of Activation of Organometallic Iridium Complexes for Catalytic Water and C-H Oxidation
Inorg. Chem., Vol. 53, (1), pp. 423-433
DOI Link: 10.1021/ic402390t
Cryogenic Ion Chemistry and Spectroscopy
Acc. Chem. Res., Vol. 47, (1), pp. 202-210
DOI Link: 10.1021/ar400125a
2013
Ionic liquids from the bottom up: Local assembly motifs in [EMIM][BF4] through cryogenic ion spectroscopy
J. Chem. Phys., Vol. 139, pp. 224305
DOI Link: 10.1063/1.4838475
Hiding in Plain Sight: Unmasking the Diffuse Spectral Signatures of the Protonated N-Terminus in Simple Peptides
J. Phys. Chem. Lett., Vol. 4, pp. 3450-3457
DOI Link: 10.1021/jz401681y
Integration of cryogenic ion vibrational predissociation spectroscopy with a mass spectrometric interface to an electrochemical cell
Anal. Chem., Vol. 85, (15), pp. 7339-7344
DOI Link: 10.1021/ac401228y
Vibrational Spectra and Fragmentation Pathways of Size-Selected, D2-Tagged Ammonium/Methylammonium Bisulfate Clusters
J. Phys. Chem. A, Vol. 117, (50), pp. 13265-13274
DOI Link: 10.1021/jp404244y