Publications

2019

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

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

Unmasking Rare, Large Amplitude Motions in D₂-tagged I⁻·(H₂O)₂ Isotopomers with Two-Color, IR-IR Vibrational Predissociation Spectroscopy

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

J. Phys. Chem. Lett., Vol. 9, (13), pp. 3744–3750

DOI Link: 10.1021/acs.jpclett.8b01485

N₂O₅ at Water Surfaces: Binding Forces, Charge Separation, Energy Accommodation and Atmospheric Implications

Barak Hirshberg, Estefanía Rossich Molina, Andreas W. Götz, Audrey D. Hammerich, Gilbert M. Nathanson, Timothy H. Bertram, Mark A. Johnson, and R. Benny Gerber

Phys. Chem. Chem. Phys., Vol. 20, pp. 17961-17976

DOI Link: 10.1039/C8CP03022G

Structural Motifs in Cold Ternary Ion Complexes of Hydroxyl-Functionalized Ionic Liquids: Isolating the Role of Cation-Cation Interactions

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

J. Phys. Chem. Lett., Vol. 9, (11), pp. 2979–2984

DOI Link: 10.1021/acs.jpclett.8b01130

Vibrational characterization of radical ion adducts between imidazole and CO₂

Stephanie M. Craig, Christopher J. Johnson, Duminda S. Ranasinghe, Ajith Perera, Rodney J. Bartlett, Michael R. Berman, and Mark A. Johnson

J. Phys. Chem. A, Vol. 122, (15), pp. 3805-3810

DOI Link: 10.1021/acs.jpca.8b01883

Autodetachment from Vibrationally Excited Vinylidene Anions

Jessalyn A. DeVine, Marissa L. Weichman, Changjian Xie, Mark C. Babin, Mark A. Johnson, Jianyi Ma, Hua Guo, and Daniel M. Neumark

J. Phys. Chem. Lett., Vol. 9, (5), pp. 1058-1063

DOI Link: 10.1021/acs.jpclett.8b00144

2017

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

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

Chem. Phys. Lett. (Invited Frontiers Article), Vol. 690, (16), pp. 159-171

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

Olga Gorlova, Stephanie M. Craig, and Mark A. Johnson

J. Chem. Phys. (Communication, selected as an Editor's Pick), Vol. 147, (23), pp. 231101

DOI Link: 10.1063/1.5009009

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

2019

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

Unmasking Rare, Large Amplitude Motions in D2-tagged I−·(H2O)2 Isotopomers with Two-Color, IR-IR Vibrational Predissociation Spectroscopy

N2O5 at Water Surfaces: Binding Forces, Charge Separation, Energy Accommodation and Atmospheric Implications

Structural Motifs in Cold Ternary Ion Complexes of Hydroxyl-Functionalized Ionic Liquids: Isolating the Role of Cation-Cation Interactions

Vibrational characterization of radical ion adducts between imidazole and CO2

Autodetachment from Vibrationally Excited Vinylidene Anions

2017

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

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

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

Unmasking Rare, Large Amplitude Motions in D₂-tagged I⁻·(H₂O)₂ Isotopomers with Two-Color, IR-IR Vibrational Predissociation Spectroscopy

N₂O₅ at Water Surfaces: Binding Forces, Charge Separation, Energy Accommodation and Atmospheric Implications

Vibrational characterization of radical ion adducts between imidazole and CO₂

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

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