Publications

Ma, Z.; Chen, L.; Xu, C.; Fournier, J.A. Two-Dimensional Infrared Spectroscopy of Isolated Molecular Ions. J. Phys. Chem. Lett. 2023, 14, 9683.

Dean, J.L.S.*; Winkler, V.S.*; Boyer, M.A.; Sibert III, E.L.; Fournier, J.A. Investigating Intramolecular H Atom Dynamics in β-Diketones with Ultrafast Infrared Spectroscopies and Theoretical Modeling. J. Phys. Chem. A 2023, 127, 9258.

Chen, L.*; Ma, Z.*; Fournier, J.A. Ultrafast Transient Vibrational Action Spectroscopy of Cryogenically Cooled Ions. J. Chem. Phys. (Communication), 2023, 159. 041101. Cover article. Editor’s Pick article.

Chen, L.; Sibert III, E.L.; Fournier, J.A. Unraveling the Vibrational Spectral Signatures of a Dislocated H atom in Model Proton-Coupled Electron Transfer Dyad Systems. J. Phys. Chem. A 2023, 127, 3362.

Chen, L.; Ma, Z.; Fournier, J.A. Origins of the Diffuse Shared Proton Vibrational Signatures in Proton-Coupled Electron Transfer Model Dyad Complexes. J. Chem. Phys. 2022, 157, 154308. Editor’s Pick article.

Dean, J.L.S.; Fournier, J.A.  Vibrational Dynamics of the Intramolecular H-bond in Acetylacetone Investigated with Transient and 2D IR Spectroscopy. J. Phys. Chem. B 2022, 126, 3551. 

Chen, L.; Dean, J.L.S.; Fournier, J.A. Time-Domain Vibrational Action Spectroscopy of Cryogenically Cooled, Messenger Tagged Ions using Ultrafast IR Pulses. J. Phys. Chem. A 2021, 125, 10235.

Chen, L.; Fournier, J.A. Probing Hydrogen-Bonding Interactions within Phenol-Benzimidazole Proton-Coupled Electron Transfer Model Complexes with Cryogenic Ion Vibrational Spectroscopy. J. Phys. Chem. A 2021, 125, 9288.

Carpenter, W.B., Lewis, N.H.C.; Fournier, J.A.; Tokmakoff, A. Entropic Barriers in the Kinetics of Aqueous Proton Transfer. J. Chem Phys. 2019, 151, 034501.

Lewis, N.H.C.; Fournier, J.A.; Carpenter, W.B.; Tokmakoff, A. Direct Observation of Ion Pairing in Aqueous Nitric Acid Using 2D Infrared Spectroscopy. J. Phys. Chem. B 2019,  123, 225.

Carpenter, W.B., Lewis, N.H.C.; Fournier, J.A.; Tokmakoff, A. Entropic Barriers in the Kinetics of Aqueous Proton Transfer. J. Chem Phys. 2019, 151, 034501.

Lewis, N.H.C.; Fournier, J.A.; Carpenter, W.B.; Tokmakoff, A. Direct Observation of Ion Pairing in Aqueous Nitric Acid Using 2D Infrared Spectroscopy. J. Phys. Chem. B 2019,  123, 225.

Fournier, J.A.; Carpenter, W.B.; Lewis, N.H.C.; Tokmakoff, A. Broadband 2D IR Spectroscopy Reveals Dominant Asymmetric H₅O₂⁺ Proton Hydration Structures in Acid Solutions. Nat. Chem. 2018, 10, 932.

Press Coverage:

“Proton Hydration Structures are Asymmetric, Study Reveals”, Physical Sciences Division News, UChicago, July 31, 2018.  Posted on the Department of Energy Office of Science website and Twitter account, and on Phys.org.

Highlighted on Nature Chemistry cover with a subtle but ingenious pun: “Aqueous Protons: Welcome to the Zundel”

Carpenter, W.B.; Fournier, J.A.; Lewis, N.H.C.; Tokmakoff, A. Picosecond Proton Transfer Kinetics in Water Revealed with Ultrafast IR Spectroscopy. J. Phys. Chem. B 2018, 122, 2792.

Carpenter, W.B.; Fournier, J.A.; Tokmakoff, A. Delocalization and Stretch-Bend Mixing of the HOH Bend in Liquid Water. J. Chem. Phys. 2017, 147, 084503.

Biswas, R.; Carpenter, W.; Fournier, J.A.; Voth, G.A.; Tokmakoff, A. IR Spectral Assignments for the Hydrated Excess Proton in Liquid Water. J. Chem. Phys. 2017, 146, 154507. (2017 Editors’ Choice).

Wolke, C.T.; Fournier, J.A.; Dzugan, L.D.; McCoy, A.B.; Odbadrakh, T.T; Jordan, K.D.; Fagiani, M.R.; Knorke, H.; Asmis, K.R.; Johnson, M.A. Spectroscopic Snapshots of the Proton Relay Mechanism in Water. Science, 2016, 354, 1131.

Press Coverage: 

YaleNews, December 1, 2016: “A Watershed Moment in how H₂O Conducts Electricity”

UW News, December 1, 2016: “For the First Time, Scientist Catch Water Molecules Passing the Proton Baton”

De Marco, L.; Fournier, J.A.; Thämer, M.; Carpenter, W.; Tokmakoff, A. Anharmonic Exciton Dynamics and Energy Dissipation in Liquid Water from Two‑Dimensional Infrared Spectroscopy. J. Chem. Phys. 2016, 145, 094501. (Featured Article, cover art)

Fournier, J.A.; Carpenter, W.; De Marco, L.; Tokmakoff, A. The Interplay of Ion‑Water and Water-Water Interactions within the Hydration Shells of Nitrate and Carbonate Directly Probed with 2D IR Spectroscopy. J. Am. Chem. Soc., 2016, 138, 9634.

Bohn, R.K.; Montgomery, J.A. Jr.; Michels, H.H.; Fournier, J.A. Second Moments and Rotational Spectroscopy. J. Mol. Spectrosc. 2016, 325, 42.

Wolke, C.T.; Fournier, J.A.; Miliordos. E; Kathmann, S.M.; Xantheas, S.S.; Johnson, M.A. Isotopomer-Selective Spectra of a Single Intact H₂O Molecule in the Cs⁺(D₂O)₅H₂O Isotopologue: Going Beyond Pattern Recognition to Harvest the Structural Information Encoded in Vibrational Spectra. J. Chem. Phys., 2016, 144, 074305.

Fournier, J.A.; Wolke, C.T.; Johnson, M.A.; Odbadrakh, T.T; Jordan, K.D.; Kathmann, S.M.; Xantheas, S.S. Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H⁺(H₂O)_n=2-28Clusters. J. Phys. Chem. A, 2015, 119, 9425. (Feature Article, cover art)

Kelleher, P.J.; Johnson, C.J.; Fournier, J.A.; Johnson, M.A.; McCoy, A.B. Persistence of Dual Free Internal Rotation in the NH₄⁺(H₂O)∙He_n=0-3 Ion‑Molecule Complexes: Expanding the Case for Quantum Delocalization in He Tagging. J. Phys. Chem. A, 2015, 119, 4170.

Wolke, C.T.; Menges, F.S.; Totsch, N.; Gorlova, O.; Fournier, J.A.; Weddle, G.H.; Johnson, M.A.; Heine, N.; Esser, T.K.; Knorke, H.; Asmis, K.R.; McCoy, A.B.; Arismendi-Arrieta, D.J.; Prosmiti, R.; Paesani, F. Thermodynamics of Water Dimer Dissociation in the Primary Hydration Shell of the Iodide Ion with Temperature-Dependent Vibrational Predissociation Spectroscopy. J. Phys. Chem. A 2015, 119, 1859.

Fournier, J.A.; Wolke, C.T.; Johnson, C.J.; McCoy, A.B.; Johnson, M.A. 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. J. Chem. Phys. 2015, 142, 064306.

Fournier, J.A.; Wolke, C.T.; Johnson, C.J.; Johnson, M.A.; Heine, N.; Gewinner, S.; Schöllkopf, W.; Esser, T.K.; Fagiani, M.R.; Knorke, H.; Asmis, K.R. Site-Specific Vibrational Spectral Signatures of Water Molecules in the Magic H₃O⁺(H₂O)₂₀ and Cs⁺(H₂O)₂₀ Clusters. Proc. Natl. Acad. Sci. USA, 2014, 111, 18132.

Johnson, C.J.; Dzugan, L.C.; Wolk, A.B.; Leavitt, C.M.; Fournier, J.A.; McCoy, A. B.; Johnson, M.A. 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. J. Phys. Chem. A 2014, 118, 7590.

Fournier, J.A.; Johnson, C.J.; Wolke, C.T.; Weddle, G.H.; Wolk, A.B.; Johnson, M.A. Vibrational Spectral Signature of the Proton Defect in the Three‑Dimensional H⁺(H₂O)₂₁Cluster. Science, 2014, 344, 1009.

Press Coverage:

Royal Society of Chemistry, Chemistry World Magazine, May 30, 2014: “Cluster Structure Promises Acid Advance”      

YaleNews, June 5, 2014: “Case Closed – Where the Missing Proton Goes”

Department of Energy, Basic Energy Sciences Science Highlight, August 7, 2016: “Finding Where the Missing Proton Goes in Water”

Johnson, C.J.; Wolk, A.B.; Fournier, J.A.; Sullivan, E.N.; Weddle, G.H.; Johnson, M.A. He-tagged vibrational spectra of the SarGlyH⁺and H⁺(H₂O)_2,3 ions: Quantifying Tag Effects in Cryogenic Ion Vibrational Predissociation (CIVP) spectroscopy. J. Chem. Phys. (Communication) 2014, 140, 221101.

Ard, S.G.; Melko, J.J.; Ushakov, V.G.; Johnson, R.; Fournier, J.A.; Shuman, N.S.; Guo, H.; Troe, J.; Viggiano, A.A.  Activation of Methane by FeO⁺: Determining Reaction Pathways through Temperature-Dependent Kinetics and Statistical Modeling.  J. Phys. Chem. A 2014, 118, 2029.

Johnson, C.J.; Fournier, J.A.; Wolke, C.T.; Johnson, M.A. Ionic Liquids from the Bottom Up: Local Assembly Motifs in [EMIM][BF₄] through Cryogenic Ion Spectroscopy. J. Chem. Phys. 2013, 139, 224305.

Wolk, A.B.; Leavitt, C.M.; Fournier, J.A.; Kamrath, M.Z.; Wijeratne, G.B.; Jackson, T.A.; Johnson, M.A. Isolation and Characterization of a Peroxo Manganese(III) Dioxygen Reaction Intermediate using Cryogenic Ion Vibrational Predissociation Spectroscopy. Int. J. Mass Spectrom. 2013, 354, 33.

Ard, S.G.; Melko, J.J.; Fournier, J.A.; Shuman, N.S.; Viggiano, A.A. Reactions of Fe⁺ and FeO⁺ with C₂H₂, C₂H₄, and C₂H₆: Temperature-Dependent Kinetics. J. Phys. Chem. A 2013, 117, 10178.

Fournier, J.A.; Wolk, A.B.; Johnson, M.A. Integration of Cryogenic Ion Vibrational Predissociation Spectroscopy with a Mass Spectrometric Interface to an Electrochemical Cell. Anal. Chem. 2013, 85, 7339.

Melko, J.J.; Ard, S.G.; Fournier, J.A.; Li, J.; Shuman, N.S.; Guo, H.; Troe, J.; Viggiano, A.A. Iron Cation Catalyzed Reduction of N₂O by CO: Gas-Phase Temperature Dependent Kinetics. Phys. Chem. Chem. Phys. 2013, 15, 11257.

Fournier, J.A.; Shuman, N.S.; Melko, J.J.; Ard, S.G.; Viggiano, A.A.  A Novel Technique for Measurement of Thermal Rate Constants and Temperature Dependences of Dissociative Recombination: CO₂⁺, CF₃⁺, N₂O⁺, C₇H₈⁺, C₆H₆⁺, C₆H₅⁺, C₅H₆⁺, C₄H₄⁺, and C₃H₃⁺.  J. Chem. Phys. 2013, 138, 15420. (2013 Editors’ Choice)

Melko, J.J.; Ard, S.G.; Fournier, J.A.; Shuman, N.S.; Troe, J.; Viggiano, A.A.  Exploring the Reactions of Fe⁺ and FeO⁺ with NO and NO₂.  J. Phys. Chem. A 2012, 116, 11500.

Garand, E.; Fournier, J.A.; Kamrath, M.Z.; Schley, N.D.; Crabtree, R.H.; Johnson, M.A. Characterization of an Activated Iridium Water Splitting Catalyst using Infrared Photodissociation of H₂ Tagged Ions. Phys. Chem. Chem. Phys. 2012, 14, 10109.

Leavitt, C.M.; Wolk, A.B.; Fournier, J.A.; Kamrath, M.Z.; Garand, E.; Van Stipdonk, M.J.; Johnson, M.A. Isomer Specific IR-IR Double Resonance Spectroscopy of D₂‑tagged Protonated Dipeptides Prepared in a Cryogenic Ion Trap. Phys. Chem. Lett. 2012, 3, 1099.

Fournier, J.A.; Phan, C.L.; Bohn, R.K. Microwave Spectroscopy and Characterization of the Helical Conformer of Perfluorohexane. Arkivoc. 2011, 2011, 5.

Fournier, J.A.; Bohn, R.K. Microwave Spectroscopy and Structures of Two Conformers of 1H-heptafluoropropane. Dalton Trans. 2010, 39, 4575.

Fournier, J.A.; Bohn, R.K.; Montgomery, J.A. Jr.; Onda, M. The Helical C₂ Structure of Perfluoropentane and the C_2v Structure of Perfluoropropane. J. Phys. Chem. A 2010, 114, 1118. 

Churchill, G.B.; Hassey, R.; Utzat, K.; Fournier, J.; Bohn, R.K.; Michels, H.H. Two Conformers Observed and Characterized in Isobutylbenzene. J. Phys. Chem. A 2010, 114, 1029.

Fournier, J.A.; Bohn, R.K.; Michels, H.H. Microwave Spectroscopy and Structures of Two Conformers of 6-methyl-3-heptyne and Three of 2‑methylpentane. J. Mol. Spectrosc. 2008, 251, 145.