Publications

2015

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. 8518-8529

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

Joseph A. Fournier, Conrad T. Wolke, Christopher J. Johnson, Anne B. McCoy, and Mark A. Johnson

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

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. 1859-1866

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

Joseph A. Fournier, Conrad T. Wolke, Christopher J. Johnson, Mark A. Johnson, Nadja Heine, Sandy Gewinner, Wieland Schöllkopf, Tim K. Esser, Matias R. Fagiani, Harald Knorke, Knut R. Asmis

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

Mark A. Johnson, Jack Simons, and Feng Wang

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

Christopher J. Johnson, Laura C. Dzugan, Arron B. Wolk, Christopher M. Leavitt, Joseph A. Fournier, Anne B. McCoy, and Mark A. Johnson

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

Joseph A. Fournier, Christopher J. Johnson, Conrad T. Wolke, Gary H. Weddle, Arron B. Wolk, and Mark A. Johnson

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

Florian Schinle, Christoph Jacob, Arron Wolk, Jean-Francois Greisch, Matthias Vonderach,Patrick Weis, Oliver Hampe, Mark Johnson, and Manfred Kappes

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

Christopher J. Johnson, Arron B. Wolk, Joseph A. Fournier, Erin N. Sullivan, Gary H. Weddle, and Mark A. Johnson

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

Andrew F. DeBlase, Steven R. Kass, and Mark A. Johnson

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

Andrew J. Ingram, Arron B. Wolk, Cornelia Flender, Jialing Zhang, Christopher J. Johnson, Ulrich Hintermair, Robert H. Crabtree, Mark A. Johnson, Richard N. Zare

Inorg. Chem., Vol. 53, (1), pp. 423-433

DOI Link: 10.1021/ic402390t

Cryogenic Ion Chemistry and Spectroscopy

Arron B. Wolk, Christopher M. Leavitt, Etienne Garand, and Mark A. Johnson

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

Christopher J. Johnson, Joseph A. Fournier, Conrad T. Wolke, and Mark A. Johnson

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

Christopher M. Leavitt, Andrew F. DeBlase, Michael van Stipdonk, Anne B. McCoy, and Mark A. Johnson

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

Joseph A. Fournier, Arron B. Wolk, and Mark A. Johnson

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

Christopher J. Johnson and Mark A. Johnson

J. Phys. Chem. A, Vol. 117, (50), pp. 13265-13274

DOI Link: 10.1021/jp404244y

Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: anharmonic analysis of protonated 1,8-disubstituted naphthalene ions

Andrew F. DeBlase, Steven Bloom, Thomas Lectka, Kenneth D. Jordan, Anne B. McCoy, and Mark A. Johnson

J. Chem. Phys., Vol. 139, pp. 024301

DOI Link: 10.1063/1.4810878

Aggregation of Small Molecules: From Dimers to Crystals

Gautam Desiraju, Mark A. Johnson, and Wolfram Sander

ChemPhysChem, Vol. 14, pp. 631-633

DOI Link: 10.1002/cphc.201200980

Isolation and Characterization of a Peroxo Manganese(III) Dioxygen Reaction Intermediate Using Cryogenic Ion Vibrational Predissociation Spectroscopy

Arron B. Wolk, Christopher M. Leavitt, Joseph A. Fournier, Michael Z. Kamrath, Gayan Wijeratneb, Timothy A. Jackson and Mark A. Johnson

Int. J. Mass. Spectrom., Vol. 354-355, pp. 33-38

DOI Link: 10.1016/j.ijms.2013.04.022

Vibrational Predissociation Spectroscopy of Ar-Tagged, Trisubstituted Silyl Cations

Andrew F. DeBlase, Michael T. Scerba, Thomas Leckta, and Mark A. Johnson

Chem. Phys. Lett., Vol. 568–569, pp. 9–13

DOI Link: 10.1016/j.cplett.2013.03.002

Cover Articles

Hydrogen Tag Shifts as Vibrational Reporters for Positional Isomers of Formylphenides: Surprising Mobility of the Carbanion Center Upon Collisional Decarboxylation of the Parent Benzoates

DOI Link: https://doi.org/10.1021/acs.jpclett.3c03514

Effects of Microhydration on the Mechanisms of Hydrolysis and Cl^- Substitution in Reactions of N₂O₅ and Seawater

DOI Link: https://doi.org/10.1002/cphc.202200819

Water Network Shape-Dependence of Local Interactions with the Microhydrated –NO₂⁻ and –CO₂⁻ Anionic Head Groups by Cold Ion Vibrational Spectroscopy

DOI Link: 10.1021/acs.jpca.2c00721

Preparation and Characterization of the Halogen Bonding Motif in the Isolated Cl⁻∙IOH Complex with Cryogenic Ion Vibrational Spectroscopy

DOI Link: 10.1021/acs.jpclett.2c00218

Vibrational signatures of HNO₃ acidity when complexed with microhydrated alkali metal ions, M⁺∙(HNO₃)(H₂O)_n=5 (M=Li, K, Na, Rb, Cs), at 20 K

DOI Link: 10.1021/acs.jpca.1c10352

Size-Dependent Onset of Nitric Acid Dissociation in Cs⁺(HNO₃)(H₂O)_n=0-11 Clusters at 20 K

DOI Link: 10.1021/acs.jpclett.1c00235

Isolating the Contributions of Specific Network Sites to the Diffuse Vibrational Spectrum of Interfacial Water With Isotopomer-Selective Spectroscopy of Cold Clusters

DOI Link: 10.1021/acs.jpca.0c07795

Ionic Liquid Clusters Generated from Electrospray Thrusters: Cold Ion Spectroscopic Signatures of Size-Dependent Acid−Base Interactions

DOI Link: 10.1021/acs.jpca.0c07595

Vibrational Spectroscopy of the Cryogenically Cooled O- and N-Protomers of 4-Aminobenzoic Acid: Tag Effects, Isotopic Labels, and Identification of the E,Z Isomer of the O-Protomer

DOI Link: 10.1016/j.ijms.2020.116427

Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in the Iodide-Water Binary Complex

DOI Link: 10.1021/acs.jpca.0c00853

Integration of High-Resolution Mass Spectrometry with Cryogenic Ion Vibrational Spectroscopy

DOI Link: 10.1007/s13361-019-02238-y

Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H₉O₄⁺ Cation with Two-Color, IR-IR Double-Resonance: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core

DOI Link: 10.1021/acs.jpca.8b08507

Isolation of the site-specific anharmonicities of individual water molecules in the Iˉ∙(H₂O)₂ complex using tag‐free, isotopomer selective IR‐IR double resonance

DOI Link: 10.1016/j.cplett.2017.09.042

Spectroscopic characterization of a strongly interacting C₍₂₎H group on the EMIM⁺ cation in the (EMIM⁺)₂Xˉ, (X = BF₄, Cl, Br, and I) ternary building blocks of ionic liquids

DOI Link: 10.1063/1.5009009

Capture of CO₂ by a Cationic Ni^I Complex in the Gas Phase and Characterization of the Bound Activated CO₂ Molecule through Cryogenic Ion Vibrational Predissociation Spectroscopy

DOI Link: 10.1002/anie.201507965

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

DOI Link: 10.1021/acs.jpca.5b04355

Modes of Activation of Organometallic Iridium Complexes for Catalytic Water and C-H Oxidation

DOI Link: 10.1021/ic402390t

Vibrational manifestations of strong non-Condon effects in the H₃O⁺·X₃(X = Ar, N₂, CH4, H2O) complexes: A possible explanation for the intensity in the “association band” in the vibrational spectrum of water

DOI Link: 10.1039/C2CP24110B

Publications

2015

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

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

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

2014

Site-Specific Vibrational Spectral Signatures of Water Molecules in the Magic H3O+(H2O)20 and Cs+(H2O)20 Clusters

From Quantum Mechanics to Molecular Mechanics: A Tribute to Kenneth D. Jordan

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

Vibrational spectral signature of the proton defect in the three-dimensional H+(H2O)21 cluster

Ion Mobility Spectrometry, Infrared Dissociation Spectroscopy and ab initio Computations towards Structural Characterization of the Deprotonated Leucine Enkephalin Peptide Anion in the Gas-Phase

Communication: He-tagged vibrational spectra of the SarGlyH+ and H+(H2O)2,3 ions: Quantifying Tag Effects in Cryogenic Ion Vibrational Predissociation (CIVP) spectroscopy

On the Character of the Cyclic Ionic H-Bond in Cryogenically Cooled Deprotonated Cysteine

Modes of Activation of Organometallic Iridium Complexes for Catalytic Water and C-H Oxidation

Cryogenic Ion Chemistry and Spectroscopy

2013

Ionic liquids from the bottom up: Local assembly motifs in [EMIM][BF4] through cryogenic ion spectroscopy

Hiding in Plain Sight: Unmasking the Diffuse Spectral Signatures of the Protonated N-Terminus in Simple Peptides

Integration of cryogenic ion vibrational predissociation spectroscopy with a mass spectrometric interface to an electrochemical cell

Vibrational Spectra and Fragmentation Pathways of Size-Selected, D2-Tagged Ammonium/Methylammonium Bisulfate Clusters

Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: anharmonic analysis of protonated 1,8-disubstituted naphthalene ions

Aggregation of Small Molecules: From Dimers to Crystals

Isolation and Characterization of a Peroxo Manganese(III) Dioxygen Reaction Intermediate Using Cryogenic Ion Vibrational Predissociation Spectroscopy

Vibrational Predissociation Spectroscopy of Ar-Tagged, Trisubstituted Silyl Cations

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

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

Site-Specific Vibrational Spectral Signatures of Water Molecules in the Magic H₃O⁺(H₂O)₂₀ and Cs⁺(H₂O)₂₀ Clusters

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

Vibrational spectral signature of the proton defect in the three-dimensional H⁺(H₂O)₂₁ cluster

Communication: He-tagged vibrational spectra of the SarGlyH⁺ and H⁺(H₂O)_2,3 ions: Quantifying Tag Effects in Cryogenic Ion Vibrational Predissociation (CIVP) spectroscopy

Ionic liquids from the bottom up: Local assembly motifs in [EMIM][BF₄] through cryogenic ion spectroscopy

Vibrational Spectra and Fragmentation Pathways of Size-Selected, D₂-Tagged Ammonium/Methylammonium Bisulfate Clusters