Publications

2017

Identification and Partial Structural Characterization of Mass Isolated Valsartan and its Metabolite with Cryogenic Ion Vibrational Predissociation (CIVP) Spectroscopy

Olga Gorlova, Sean M. Colvin, Antonio Brathwaite, Fabian S. Menges, Stephanie M. Craig, Scott J. Miller and Mark A. Johnson
J. Am. Spec. Mass Spectrom., Vol. Accepted, pp. N/A

Disentangling the complex vibrational spectrum of the protonated water trimer, H+(H2O)3 with two-color IR-IR photodissociation of the bare ion and anharmonic VSCF/VCI theory

Chinh H. Duong,* Olga Gorlova,* Nan Yang, Patrick J. Kelleher, Mark A. Johnson, Anne B. McCoy, Qi Yu, Joel M. Bowman
J. Phys. Chem. Lett., Vol. 8, pp. 3782–3789

Trapping and structural characterization of the XNO2·NO3ˉ (X = Cl, Br, I) exit channel complexes in the water-mediated Xˉ + N2O5 reactions with cryogenic vibrational spectroscopy

Patrick J. Kelleher, Fabian S. Menges, Joseph W. DePalma, Joanna K. Denton, Mark A. Johnson, Gary H. Weddle, Barak Hirshberg, R. Benny Gerber
Submitted, Vol. N/A, pp. N/A

Hidden Role of Intermolecular Proton Transfer in the Anomalously Diffuse Vibrational Spectrum of a Trapped Hydronium Ion

Stephanie M. Craig, Fabian S. Menges, Chinh H. Duong, Joanna K. Denton, Lindsey R. Madison, Anne B. McCoy, and Mark A. Johnson
Proc. Natl. Acad. Sci. USA, Vol. 114, (24), pp. E4706-E4713

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

Stephanie M. Craig, Fabian S. Menges, and Mark A. Johnson
J. Mol. Spectrosc., Vol. 332, pp. 117-123

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

Joseph W. DePalma, Patrick J. Kelleher, Laís C. Tavares, and Mark A. Johnson
J. Phys. Chem. Lett., Vol. 8, pp. 484-488

2016

Spectroscopic Snapshots of the Proton-transfer Mechanism in Water

Conrad T. Wolke, Joseph A. Fournier, Laura C. Dzugan, Matias R. Fagiani, Tugldur T. Odbadrakh, Harald Knorke, Kenneth D. Jordan, Anne B. McCoy, Knut R. Asmis, and Mark A. Johnson
Science, Vol. 354, (6316), pp. 1131-1135

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

Fabian S. Menges, Stephanie M. Craig, Niklas Tötsch, Aaron Bloomfield, Subrata Ghosh, Hans-Jörg Krüger, and Mark A. Johnson
Angew. Chem., Int. Ed., Vol. 55, (4), pp. 1282-1285

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

Olga Gorlova, Joseph W. DePalma, Conrad T. Wolke, Antonio Brathwaite, Tuguldur T. Odbadrakh, Kenneth D. Jordan, Anne B. McCoy, Mark A. Johnson
J. Chem. Phys., Vol. 145, pp. 134304

Catalytic Oxygen Evolution from Mn Complexes with an Oxidation-Resistant N,N,O-donor Ligand

Thoe K. Michaelos, Hannah M. C. Lant, Liam S. Sharninghausen, Stephanie M. Craig, Fabian S. Menges, Brandon Q. Mercado, Gary W. Brudvig, Robert H. Crabtree
ChemPlusChem, Vol. 81, (10), pp. 1129-1132

Gas Phase Vibrational Spectroscopy of the Protonated Water Pentamer: The Roll of Isomers and Nuclear Quantum Effects

Matias R. Fagiani, Harald Knorke, Tim K. Esser, Nadja Heine, Conrad T. Wolke, Sandy Gewinner, Wieland Schöllkopf, Marie-Pierre Gaigeot, Riccardo Spezia, Mark A. Johnson, Knut R. Asmis
Phys. Chem. Chem. Phys., Vol. 18, (38), pp. 26743-26754

Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2 Iron Nitrides and Imides

K. Cory MacLeod, Fabian S. Menges, Sean F. McWilliams, Stephanie M. Craig, Brandon Q. Mercado, Mark A. Johnson, Patrick L. Holland
J. Am. Chem. Soc., Vol. 138, (35), pp. 11185-11191

Site-Specific Spectral Signatures 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

Conrad T. Wolke, Joseph A. Fournier, Evangelos Miliordos, Shawn M. Kathmann, Sotiris S. Xantheas, Mark A. Johnson
J. Chem. Phys., Vol. 144, pp. 074305

2015

Thermodynamics of Water Dimer Dissocation in the Primary Hydration Shell of the Iodide Ion with Temperature-Dependent Vibrational Predissociation Spectroscopy

Conrad T. Wolke, Fabian S. Menges, Niklas Totsch, Olga Gorlova, Joseph A. Fournier, Gary H. Weddle, Mark A. Johnson, Nadja Heine, Tim K. Esser, Harold Knorke, Knut R. Asmis, Anne B. McCoy, Daniel J. Arismendi-Arrieta, Rita Prosmiti, Francesco Paesani
J. Phys. Chem. A, Vol. 119, pp. 1859

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

Joseph A. Fournier, Conrad T. Wolke, Christopher J. Johnson, Anne B. McCoy, and Mark A. Johnson
J. Chem. Phys., Vol. 142, pp. 064306

Understanding the Ionic Liquid [NC4111][NTf2] from Individual Building Blocks: An IR-Spectroscopic Study

Kenny Hanke*, Matin Kaufmann, Gerhard Schwaab, Martina Havenith, Conrad Wolke*, Olga Gorlova, Mark A. Johnson, Bishnu Kar, Wolfram Sander, Elsa Sanchez-Garcia
Phys. Chem. Chem. Phys., Vol. 17, pp. 8518

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

Patrick J. Kelleher, Christopher J. Johnson, Joseph A. Fournier, Mark A. Johnson, and Anne B. McCoy
J. Phys. Chem. A, Vol. 119, pp. 4170-4176

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

Joseph A. Fournier, Conrad T. Wolke, Mark A. Johnson, Tuguldur T. Odbadrakh, Kenneth D. Jordan, Shawn M. Kathmann, and Sotiris S. Xantheas
J. Phys. Chem. A. (Feature Article), Vol. 119, (36), pp. 9425

Vibrational Signatures of Solvent-Mediated Deformation of the Ternary Core Ions in Size-Selected [MgSO4Mg(H2O)n=4-11]2+ Clusters

Joseph W. DePalma, Patrick J. Kelleher, Christopher J. Johnson, Joseph A. Fournier, and Mark A. Johnson
J. Phys. Chem. A., Vol. 119, (30), pp. 8294

Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride

Nicholas Arnet, Thomas Dugan, Fabian Menges, Brandon Mercado, William Brennessel, Eckhard Bill, Mark Johnson, and Patrick Holland
J. Am. Chem. Soc., Vol. 137, (41), pp. 13220

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