Publications

2020

Evaluation of Protonation Sites in Two Macmillan Catalysts in Solution by Gas Phase Predissociation Spectroscopy and Electronic Structure Calculations

Laís C. Tavares, Tatiana C. Penna, Mark A. Johnson, and Thiago C. Correra

ARKIVOC (Gainesville, FL, U. S.), Vol. 2020 Part (ii), pp. 134-145

DOI Link: 10.24820/ark.5550190.p011.148

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

Justin J. Talbot, Nan Yang, Meng Huang, Chinh H. Duong, Anne B. McCoy, Ryan P. Steele, and Mark A. Johnson

J. Phys. Chem. A, Vol. 124, (15), pp. 2991-3001

DOI Link: 10.1021/acs.jpca.0c00853

Characterization of the Alkali Metal Oxalates (MC₂O₄⁻) and Their Formation by CO₂ Reduction via the Alkali Metal Carbonites (MCO₂⁻)

Joakim S. Jestilä, Joanna K. Denton, Evan H. Perez, Thien Khuu, Adoardo Apra, Sotiris S. Xantheas, Mark A. Johnson, and Einar Uggerud

Phys. Chem. Chem. Phys., Vol. 22, (14), pp. 7460-7473

DOI Link: 10.1039/D0CP00547A

Isomer-specific Cryogenic Ion Vibrational Spectroscopy of the D₂ Tagged Cs⁺(HNO₃)(H₂O)_n=0-2 Complexes: Ion-driven Enhancement of the Acidic H-bond to Water

Sayoni Mitra, Chinh H. Duong, Laura M. McCaslin, R. Benny Gerber, and Mark A. Johnson

Phys. Chem. Chem. Phys. (2020 HOT Articles), Vol. 22, pp. 4501-4507

DOI Link: 10.1039/C9CP06689F

Chain Length Dependence of Hydrogen Bond Linkages between Cationic Constituents in Hydroxy-Functionalized Ionic Liquids: Tracking Bulk Behavior to the Molecular Level with Cold Cluster Ion Spectroscopy

Helen J. Zeng, Fabian S. Menges, Thomas Niemann, Anne Strate, Ralf Ludwig, and Mark A. Johnson

J. Phys. Chem. Lett., Vol. 11, (3), pp. 683-688

DOI Link: 10.1021/acs.jpclett.9b03359

Capturing Intrinsic Site-dependent Spectral Signatures and Lifetimes of Isolated OH Oscillators in Extended Water Networks

Nan Yang, Chinh H. Duong, Patrick J. Kelleher, and Mark A. Johnson

Nature Chem., Vol. 12, pp. 159-164

DOI Link: 10.1038/s41557-019-0376-9

2019

Comment on "C−D Vibration at C2 Position of Imidazolium Cation as a Probe of the Ionic Liquid Microenvironment"

Helen J. Zeng, Fabian S. Menges, and Mark A. Johnson

J. Phys. Chem. A, Vol. 124, (4), pp. 755-756

DOI Link: 10.1021/acs.jpca.9b10728

Disentangling the Complex Vibrational Mechanics of the Protonated Water Trimer by Rational Control of its Hydrogen Bonds

Chinh H. Duong, Nan Yang, Mark A. Johnson, Ryan J. DiRisio, Anne B. McCoy, Qi Yu, and Joel M. Bowman

J. Phys. Chem. A, Vol. 123, (37), pp. 7965-7972

DOI Link: 10.1021/acs.jpca.9b05576

Spectroscopic Assessment of Intra- and Intermolecular Hydrogen Bonding in Ether-Functionalized Imidazolium Ionic Liquids

Helen J. Zeng, Mark A. Johnson, Jasodra D. Ramdihal, Rawlric A. Sumner, Chanele Rodriguez, Sharon I. Lall-Ramnarine, and James F. Wishart

J. Phys. Chem. A, Vol. 123, (39), pp. 8370-8376

DOI Link: 10.1021/acs.jpca.9b04345

Cooperatively Enhanced Hydrogen Bonds in Ionic Liquids: Closing the Loop with Molecular Mimics of Hydroxy-Functionalized Cations

Thomas Niemann, Anne Strate, Ralf Ludwig, Helen J. Zeng, Fabian S. Menges, and Mark A. Johnson

Phys. Chem. Chem. Phys. (2019 HOT Articles), Vol. 21, pp. 18092-18098

DOI Link: 10.1039/C9CP03300A

Molecular-level Origin of the Carboxylate Head Group Response to Divalent Metal Ion Complexation at the Air-water Interface

Joanna K. Denton, Patrick J. Kelleher, Mark A. Johnson, Marcel D. Baer, Shawn M. Kathmann, Christopher J. Mundy, Bethany A. Wellen Rudd, Heather C. Allen, Tae Hoon Choi, and Kenneth D. Jordan

Proc. Natl. Acad. Sci. USA, Vol. 116, (30), pp. 14874-14880

DOI Link: 10.1073/pnas.1818600116

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

Fabian S. Menges, Evan H. Perez, Sean C. Edington, Chinh H. Duong, Nan Yang, and Mark A. Johnson

J. Am. Spec. Mass Spectrom., Vol. 30, (9), pp. 1551-1557

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

Mechanisms and Competition of Halide Substitution and Hydrolysis in Reactions of N₂O₅ with Seawater

Laura M. McCaslin, Mark A. Johnson, and R. Benny Gerber

Sci. Adv., Vol. 5, (6), pp. eaav6503

DOI Link: 10.1126/sciadv.aav6503

Introductory Lecture: Advances in Ion Spectroscopy: From Astrophysics to Biology

Helen J. Zeng, Nan Yang, and Mark A. Johnson

Faraday Discuss., Vol. 217, pp. 8-33

DOI Link: 10.1039/C9FD00030E

Deconstructing Water’s Diffuse OH Stretching Vibrational Spectrum with Cold Clusters

Nan Yang, Chinh H. Duong, Patrick J. Kelleher, Anne B. McCoy, and Mark A. Johnson

Science, Vol. 364, (6437), pp. 275-278

DOI Link: 10.1126/science.aaw4086

2018

Spectroscopic Evidence for an Attractive Cation–Cation Interaction in Hydroxy‐Functionalized Ionic Liquids: A Hydrogen‐Bonded Chain‐like Trimer

Thomas Niemann, Anne Strate, Ralf Ludwig, Helen J. Zeng, Fabian S. Menges, and Mark A. Johnson

Angew. Chem., Int. Ed., Vol. 57, (47), pp. 15364–15368

DOI Link: 10.1002/anie.201808381

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

Chinh H. Duong, Nan Yang, Patrick J. Kelleher, Mark A. Johnson, Ryan J. DiRisio, Anne B. McCoy, Qi Yu, Joel M. Bowman, Bryan V. Henderson, and Kenneth D. Jordan

J. Phys. Chem. A, Vol. 122, (48), pp. 9275-9284

DOI Link: 10.1021/acs.jpca.8b08507

Vibrational Predissociation Spectroscopy of Cold Protonated Tryptophan with Different Messenger Tags

Steffen Spieler, Chinh H. Duong, Alexander Kaiser, Felix Duensing, Katharina Geistlinger, Moritz Fischer, Nan Yang, Sunil S. Kumar, Mark A. Johnson, and Roland Wester

J. Phys. Chem. A, Vol. 122, (40), pp. 8037–8046

DOI Link: 10.1021/acs.jpca.8b07532

Ground-State Structure of the Proton-Bound Formate Dimer by Cold-Ion Infrared Action Spectroscopy

Daniel Thomas, Mateusz Marianski, Eike Mucha, Gerard Meijer, Mark A. Johnson, and Gert von Helden

Angew. Chem., Int. Ed., Vol. 57, (33), pp. 10615–10619

DOI Link: 10.1002/anie.201805436

Anharmonic Densities of States for Vibrationally Excited I^‑(H₂O), (H₂O)₂, and I^‑(H₂O)₂

Xinyou Ma, Nan Yang, Mark A. Johnson, and William L. Hase

J. Chem. Theory Comput., Vol. 14, (8), pp. 3986–3997

DOI Link: 10.1021/acs.jctc.8b00300

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

2020

Evaluation of Protonation Sites in Two Macmillan Catalysts in Solution by Gas Phase Predissociation Spectroscopy and Electronic Structure Calculations

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

Characterization of the Alkali Metal Oxalates (MC2O4−) and Their Formation by CO2 Reduction via the Alkali Metal Carbonites (MCO2−)

Isomer-specific Cryogenic Ion Vibrational Spectroscopy of the D2 Tagged Cs+(HNO3)(H2O)n=0-2 Complexes: Ion-driven Enhancement of the Acidic H-bond to Water

Chain Length Dependence of Hydrogen Bond Linkages between Cationic Constituents in Hydroxy-Functionalized Ionic Liquids: Tracking Bulk Behavior to the Molecular Level with Cold Cluster Ion Spectroscopy

Capturing Intrinsic Site-dependent Spectral Signatures and Lifetimes of Isolated OH Oscillators in Extended Water Networks

2019

Comment on "C−D Vibration at C2 Position of Imidazolium Cation as a Probe of the Ionic Liquid Microenvironment"

Disentangling the Complex Vibrational Mechanics of the Protonated Water Trimer by Rational Control of its Hydrogen Bonds

Spectroscopic Assessment of Intra- and Intermolecular Hydrogen Bonding in Ether-Functionalized Imidazolium Ionic Liquids

Cooperatively Enhanced Hydrogen Bonds in Ionic Liquids: Closing the Loop with Molecular Mimics of Hydroxy-Functionalized Cations

Molecular-level Origin of the Carboxylate Head Group Response to Divalent Metal Ion Complexation at the Air-water Interface

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

Mechanisms and Competition of Halide Substitution and Hydrolysis in Reactions of N2O5 with Seawater

Introductory Lecture: Advances in Ion Spectroscopy: From Astrophysics to Biology

Deconstructing Water’s Diffuse OH Stretching Vibrational Spectrum with Cold Clusters

2018

Spectroscopic Evidence for an Attractive Cation–Cation Interaction in Hydroxy‐Functionalized Ionic Liquids: A Hydrogen‐Bonded Chain‐like Trimer

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

Vibrational Predissociation Spectroscopy of Cold Protonated Tryptophan with Different Messenger Tags

Ground-State Structure of the Proton-Bound Formate Dimer by Cold-Ion Infrared Action Spectroscopy

Anharmonic Densities of States for Vibrationally Excited I‑(H2O), (H2O)2, and I‑(H2O)2

Characterization of the Alkali Metal Oxalates (MC₂O₄⁻) and Their Formation by CO₂ Reduction via the Alkali Metal Carbonites (MCO₂⁻)

Isomer-specific Cryogenic Ion Vibrational Spectroscopy of the D₂ Tagged Cs⁺(HNO₃)(H₂O)_n=0-2 Complexes: Ion-driven Enhancement of the Acidic H-bond to Water

Mechanisms and Competition of Halide Substitution and Hydrolysis in Reactions of N₂O₅ with Seawater

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

Anharmonic Densities of States for Vibrationally Excited I^‑(H₂O), (H₂O)₂, and I^‑(H₂O)₂