Publications

2013

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

Quantifying intrinsic ion-driven conformational changes in diphenylacetylene supramolecular switches with cryogenic ion vibrational spectroscopy

Arron Wolk, Etienne Garand, Ian Jones, Andrew Hamilton, and Mark Johnson

J. Phys. Chem. A, Vol. 117, (29), pp. 5962-5969

DOI Link: 10.1021/jp3111925

2012

Characterization of an activated iridium water splitting catalyst using infrared photodissociation of H₂ tagged ions

Etienne Garand, Joseph A. Fournier, Michael Z. Kamrath, Nathan D. Schley, Robert H. Crabtree, and Mark A. Johnson

Phys. Chem. Chem. Phys., Vol. 14, (29), pp. 10109-10113

DOI Link: 10.1039/C2CP41490B

Isomer-specific IR-IR double resonance spectroscopy of D₂-tagged protonated dipeptides prepared in a cryogenic ion trap

Christopher M. Leavitt, Arron B. Wolk, Joseph A. Fournier, Michael Z. Kamrath, Etienne Garand, Michael J. Van Stipdonk, and Mark A. Johnson

J. Phys. Chem. Lett., Vol. 3, (9), pp. 1099-1105

DOI Link: 10.1021/jz3003074

Vibrational Fano resonances in dipole-bound anions

Stephen T. Edwards, Mark A. Johnson, and John C. Tully

J. Chem. Phys., Vol. 136, (15), pp. 154305

DOI Link: 10.1063/1.3698587

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

Anne B. McCoy, Timothy L. Guasco, Christopher M. Leavitt, Solveig G. Olesen and Mark A. Johnson

Phys. Chem. Chem. Phys., Vol. 14, (20), pp. 7205-7214

DOI Link: 10.1039/C2CP24110B

Characterization of Highly Unusual NH⁺–O Hydrogen Bonding to Ester Ether Oxygen Atoms through Spectroscopic and Computational Studies

Michael T. Scerba, Andrew F. DeBlase, Steven Bloom, Travis Duddin, Mark A. Johnson, and Thomas Lectka

J. Phys. Chem. A, Vol. 116, (14), pp. 3556

DOI Link: 10.1021/jp211688v

Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)₂⁻, with vibrational and photoelectron spectroscopies

Helen K. Gerardi, Andrew F. DeBlase, Christopher M. Leavitt, Xiaoge Su, Kenneth D. Jordan, Anne B. McCoy, and Mark A. Johnson

J. Chem. Phys., Vol. 136, (13), pp. 134318

DOI Link: 10.1063/1.3693271

Determination of Noncovalent Docking by Infrared Spectroscopy of Cold Gas-Phase Complexes

Etienne Garand, Michael Z. Kamrath, Peter A. Jordan, Arron B. Wolk, Christopher M. Leavitt, Anne B. McCoy, Scott J. Miller, and Mark A. Johnson

Science, Vol. 335, (6069), pp. 694-698

DOI Link: 10.1126/science.1214948

Bottom-Up View of Water Network-Mediated CO₂ Reduction Using Cryogenic Cluster Ion Spectroscopy and Direct Dynamics Simulations

Kristin J. Breen, Andrew F. DeBlase, Timothy L. Guasco, Vamsee K. Voora, Kenneth D. Jordan, Takashi Nagata, and Mark A. Johnson

J. Phys. Chem. A, Vol. 116, (3), pp. 903-912

DOI Link: 10.1021/jp209493v

Water

Robert G. Bryant, Mark A. Johnson, and Peter J. Rossky

Acc. Chem. Res., Vol. 45, (18), pp. 1-2

DOI Link: 10.1021/ar2003286

2011

Characterizing the Intramolecular H-bond and Secondary Structure in Methylated GlyGlyH⁺ with H₂ Predissociation Spectroscopy

Christopher M. Leavitt, Arron B. Wolk, Michael Z. Kamrath, Etienne Garand, Michael J. Van Stipdonk, and Mark A. Johnson

J. Am. Soc. Mass Spectrom., Vol. 22, (11), pp. 1941-1952

DOI Link: 10.1007/s13361-011-0228-3

NH⁺–F Hydrogen Bonding in a Fluorinated “Proton Sponge” Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies

Michael T. Scerba, Christopher M. Leavitt, Matthew E. Diener, Andrew F. DeBlase, Timothy L. Guasco, Maxime A. Siegler, Nathaniel Bair, Mark A. Johnson, and Thomas Lectka

J. Org. Chem, Vol. 76, (19), pp. 7975-7984

DOI Link: 10.1021/jo2015328

Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO₂¯, DCO₂¯, and HCO₂¯·H₂O Ions

Helen K. Gerardi, Andrew F. DeBlase, Xiaoge Su, Kenneth D. Jordan, Anne B. McCoy, and Mark A. Johnson

J. Phys. Chem. Lett., Vol. 2, (19), pp. 2437-2441

DOI Link: 10.1021/jz200937v

The Importance of NO⁺(H₂O)₄ in the Conversion of NO⁺(H₂O)_n to H₃O⁺(H₂O)_n: I. Kinetics Measurements and Statistical Rate Modeling

Nicole Eyet, Nicholas S. Shuman, Albert A. Viggiano, Jürgen Troe, Rachael A. Relph, Ryan P. Steele, and Mark A. Johnson

J. Phys. Chem. A, Vol. 115, (26), pp. 7582-7590

DOI Link: 10.1021/jp2032803

Unraveling Anharmonic Effects in the Vibrational Predissociation Spectra of H₅O₂⁺ and Its Deuterated Analogues

Timothy L. Guasco, Mark A. Johnson, and Anne B. McCoy

J. Phys. Chem. A, Vol. 115, (23), pp. 5847-5858

DOI Link: 10.1021/jp109999b

Cover Articles

Mechanism of a Halogen Exchange Reaction in Water: Catalysis by Aqueous Media

DOI Link: https://doi.org/10.1021/acscentsci.4c02228

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

2013

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

Quantifying intrinsic ion-driven conformational changes in diphenylacetylene supramolecular switches with cryogenic ion vibrational spectroscopy

2012

Characterization of an activated iridium water splitting catalyst using infrared photodissociation of H2 tagged ions

Isomer-specific IR-IR double resonance spectroscopy of D2-tagged protonated dipeptides prepared in a cryogenic ion trap

Vibrational Fano resonances in dipole-bound anions

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

Characterization of Highly Unusual NH+–O Hydrogen Bonding to Ester Ether Oxygen Atoms through Spectroscopic and Computational Studies

Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2−, with vibrational and photoelectron spectroscopies

Determination of Noncovalent Docking by Infrared Spectroscopy of Cold Gas-Phase Complexes

Bottom-Up View of Water Network-Mediated CO2 Reduction Using Cryogenic Cluster Ion Spectroscopy and Direct Dynamics Simulations

Water

2011

Characterizing the Intramolecular H-bond and Secondary Structure in Methylated GlyGlyH+ with H2 Predissociation Spectroscopy

NH+–F Hydrogen Bonding in a Fluorinated “Proton Sponge” Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies

Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO2¯, DCO2¯, and HCO2¯·H2O Ions

The Importance of NO+(H2O)4 in the Conversion of NO+(H2O)n to H3O+(H2O)n: I. Kinetics Measurements and Statistical Rate Modeling

Unraveling Anharmonic Effects in the Vibrational Predissociation Spectra of H5O2+ and Its Deuterated Analogues

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

Characterization of an activated iridium water splitting catalyst using infrared photodissociation of H₂ tagged ions

Isomer-specific IR-IR double resonance spectroscopy of D₂-tagged protonated dipeptides prepared in a cryogenic ion trap

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

Characterization of Highly Unusual NH⁺–O Hydrogen Bonding to Ester Ether Oxygen Atoms through Spectroscopic and Computational Studies

Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)₂⁻, with vibrational and photoelectron spectroscopies

Bottom-Up View of Water Network-Mediated CO₂ Reduction Using Cryogenic Cluster Ion Spectroscopy and Direct Dynamics Simulations

Characterizing the Intramolecular H-bond and Secondary Structure in Methylated GlyGlyH⁺ with H₂ Predissociation Spectroscopy

NH⁺–F Hydrogen Bonding in a Fluorinated “Proton Sponge” Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies

Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO₂¯, DCO₂¯, and HCO₂¯·H₂O Ions

The Importance of NO⁺(H₂O)₄ in the Conversion of NO⁺(H₂O)_n to H₃O⁺(H₂O)_n: I. Kinetics Measurements and Statistical Rate Modeling

Unraveling Anharmonic Effects in the Vibrational Predissociation Spectra of H₅O₂⁺ and Its Deuterated Analogues