List of Publications

• Phenyl Radical Activates Molecular Hydrogen Through Protium and Deuterium Tunneling

Bhagat, V.; Meisner, J.;* Wagner, J. P.* Angew. Chem. Int. Ed. 2024, accepted article.

• Synthesis of Thiourea and Thioamide S-Oxides via SO Transfer from a Thiirane S-Oxide onto N-Heterocyclic Carbenes

Medvedko, S.; Ströbele, M.; Fechter, M.; Fischer, A.; Hettiger, T.; Idzko, P.; Scheele, M.;* Wagner, J. P.* Org. Lett. 2024, 26, 5868-5872.

• From Criegee to Breslow: How π-Donors Steer the Route of Olefin Ozonolysis

Medvedko, S.; Wagner, J. P.* Chem. Eur. J. 2024, 30, e202400026.

• Designing a σ⁰π² Singlet Ground State Carbene from Dicationic Carbones

Wagner, J. P.* Chem. Comm. 2024, 60, 3327-3330.

• Conformations and Rearrangements of Collinolactone – Experiments and Theory on a Dynamic Cyclodecatriene

Decker, R. L.; Schray, D.; Pfeffer, H. I.; Grond, S.; Wagner, J. P.* Chem. Eur. J. 2024, 29, e202303435.

• Photolytic Decarbonylation of Oxalyl Diisothiocyanate in Solid Argon Matrices to syn-anti Carbonyl Diisothiocyanate and its Isomerization

Pfeiffer, J.; Wagner, J. P.;* Tambornino, F.* Eur. J. Inorg. Chem. 2023, e202300290.

• A Metastable Ketenyl Radical–Water Complex from UV Photolysis of the Carboxymethyl Radical

Wagner, J. P.;* Bhagat, V. J. Phys. Chem. A 2023, 127, 3171-3178.

• Sulfur Monoxide Release and Capture: A Computational Study

Idzko, P.; Wagner, J. P.* Eur. J. Org. Chem. 2023, e202201370.

• Synthesis of Sterically Encumbered Thiourea S-Oxides through Direct Thiourea Oxidation

Medvedko, S.; Ströbele, M.; Wagner, J. P.* Chem. Eur. J. 2023, 29, e202203005.

• The Activated Reaction of Dichlorocarbene With Triplet Molecular Oxygen

Wagner, J. P.* Phys. Chem. Chem. Phys. 2022, 24, 25834-25841.

• 2H-Imidazol-2-one O-Oxide: A Criegee Intermediate from a σ⁰π² Singlet Ground-State Carbene

Wagner, J. P.* J. Am. Chem. Soc. 2022, 144, 5937-5944.

• Acetate Facilitated Nickel Catalyzed Coupling of Aryl Chlorides and Alkyl Thiols

Oechsner, R. M.; Wagner, J. P.;* Fleischer, I.* ACS Catal. 2022, 4, 2233-2243.

• σ⁰π² Singlet Ground State Carbenes Undergo Least-Motion Reactions With H₂ and Alkenes

Clewing, S. F.; Wagner, J. P.* J. Org. Chem. 2021, 86, 15247-15252.

• Infrared Spectroscopy of the Protonated HCl Dimer and Trimer

Wagner, J. P.; McDonald II, D. C.; Colley, J. E.; Franke, P. R.; Duncan, M. A. J. Chem. Phys. 2021, 155, 134302.

• Criegee Intermediates in Autoxidation Reactions: Mechanistic Considerations

Wagner, J. P.* J. Phys. Chem. A 2021, 125, 406-410.

• Intramolecular London Dispersion Interactions Do Not Cancel in Solution

Schümann, J. M.; Wagner, J. P.; Eckhardt, A. K.; Quanz, H.; Schreiner, P. R. J. Am. Chem. Soc. 2021, 143, 41-45.

• ​​Infrared Spectroscopy of H⁺(CO)₂ in the Gas Phase and in para-Hydrogen Matrices

Leicht, D.; Rittgers, B. M.; Douberly, G. E.; Wagner, J. P.; McDonald II, D. C.; Mauney, D. T.; Tsuge, M.; Lee, Y.-P.; Duncan, M. A. J. Chem. Phys. 2020, 153, 084305.

• Difficulties of Popular Density Functionals to Describe the Conformational Isomerism in Iodoacetic Acid

Wagner, J. P.* J. Phys. Chem. A 2020, 124, 5570-5579.

• The Role of Tunneling in the Spectra of H₅⁺ and D₅⁺ up to 7300 cm^–1

Boyer, M. A.; Chiu, C. S.; McDonald, D. C.; Wagner, J. P.; Colley, J. E.; Orr, D. S.; Duncan, M. A.; McCoy, A. B. J. Phys. Chem. A 2020, 124, 4427-4439.

• An Intramolecular Hydrogen-Shift in a Peroxy Radical at Cryogenic Temperatures: The Reaction of 2-Hydroxyphenyl Radical with O₂

Wagner, J. P.* Chem. Eur. J. 2020, 26, 12119-12124.

• Gauging Stability and Reactivity of Carbonyl O-Oxide Criegee Intermediates

Wagner, J. P.* Phys. Chem. Chem. Phys. 2019, 21, 21530-21540.

• Gas Phase Infrared Spectroscopy of the H₂C=NH₂⁺ Methaniminium Cation

Wagner, J. P.; Giles, S. M.; Duncan, M. A. Chem. Phys. Lett. 2019, 726, 53-56.

• Near-Infrared Spectroscopy and Anharmonic Theory of Protonated Water Clusters: Higher Elevations in the Hydrogen Bonding Landscape

McDonald II, D. C.; Wagner, J. P.; McCoy, A. B.; Duncan, M. A. J. Phys. Chem. Lett. 2018, 9, 5664-5671.

• Mid-Infrared Spectroscopy of C₇H₇⁺ Isomers in the Gas Phase: Benzylium and Tropylium

Wagner, J. P.; McDonald II, D. C.; Duncan, M. A. J. Phys. Chem. Lett. 2018, 9, 4591-4595.

• Communication: Infrared Photodissociation Spectroscopy of the H₆⁺ Cation in the Gas Phase

McDonald II, D. C.; Wagner, J. P.; Duncan, M. A. J. Chem. Phys. 2018, 149, 031105.

• Spectroscopy of Proton Coordination with Ethylenediamine

Wagner, J. P.; McDonald II, D. C.; Duncan, M. A. J. Phys. Chem. A 2018, 122, 5168-5176.

• Intricate Conformational Tunneling in Carbonic Acid Monomethyl Ester

Linden, M. M.; Wagner, J. P.; Bernhardt, B.; Allen, W. D.; Schreiner, P. R. J. Phys. Chem. Lett. 2018, 9, 1663-1667.

• An Argon-Oxygen Covalent Bond in the ArOH⁺ Molecular Ion

Wagner, J. P.; McDonald II, D. C.; Duncan, M. A. Angew. Chem., Int. Ed. 2018, 57, 5081-5085.

• Infrared Spectroscopy of the Astrochemically Relevant Protonated Formaldehyde Dimer

Wagner, J. P.; McDonald II, D. C.; Duncan, M. A. J. Phys. Chem. A 2018, 122, 192-198.

• Mid/Near Infrared Spectroscopy of the H₂Cl⁺Ar Cation Complex Compared to the Predictions of Anharmonic Theory

McDonald II, D. C.; Wagner, J. P.; Duncan, M. A. Chem. Phys. Lett. 2018, 691, 51-55.

• Near-Infrared Spectroscopy and Anharmonic Theory of the H₂O⁺Ar_1,2 Cation Complexes

Wagner, J. P.; McDonald II, D. C.; Duncan, M. A. J. Chem. Phys. 2017, 147, 104302.

• Tunneling Isomerizations on the Potential Energy Surfaces of Formaldehyde and Methanol Radical Cations

Wagner, J. P.; Bartlett, M. A.; Allen, W. D.; Duncan, M. A. ACS Earth Space Chem. 2017, 1, 361-367.

• Towards the Pyrolytic Preparation of Carbonothioic O,O-Acid (Monothiocarbonic Acid)

Niedek, D.; Wagner, J. P.; Schreiner, P. R. J. Anal. Appl. Pyrolysis 2017, 124, 439-445.

• [2](1,3)Adamantano[2](2,7)pyrenophane: A Hydrocarbon with a Large Dipole Moment

Kahl, P.; Wagner, J. P.; Balestrieri, C.; Becker, J.; Hausmann, H.; Bodwell, G. J.; Schreiner, P. R. Angew. Chem., Int. Ed. 2016, 55, 9277-9281.

• Tunnelling in Carbonic Acid

Wagner, J. P.; Reisenauer, H. P.; Hirvonen, V.; Wu, C.-H.; Tyberg, J. L.; Allen, W. D.; Schreiner, P. R. Chem. Commun. 2016, 52, 7858-7861.

• London Dispersion Decisively Contributes to the Thermodynamic Stability of Bulky NHC-Coordinated Main Group Compounds

Wagner, J. P.; Schreiner, P. R. J. Chem. Theory Comput. 2016, 12, 231-237.

• London Dispersion in Molecular Chemistry—Reconsidering Steric Effects

Wagner, J. P.; Schreiner, P. R. Angew. Chem., Int. Ed. 2015, 54, 12274-12296.

• Domino Tunneling

Schreiner, P. R.; Wagner, J. P.; Reisenauer, H. P.; Gerbig, D.; Ley, D.; Sarka, J.; Császár, A. G.; Vaughn, A.; Allen, W. D. J. Am. Chem. Soc. 2015, 137, 7828-7834.

• The Self-Association of Graphane Is Driven by London Dispersion and Enhanced Orbital Interactions

Wang, C.; Mo, Y.; Wagner, J. P.; Schreiner, P. R.; Jemmis, E. D.; Danovich, D.; Shaik, S. J. Chem. Theory Comput. 2015, 11, 1621-1630.

• Gas-Phase Preparation of Carbonic Acid and Its Monomethyl Ester

Reisenauer, H. P.; Wagner, J. P.; Schreiner, P. R. Angew. Chem., Int. Ed. 2014, 53, 11766-11771.

• Nature Utilizes Unusual High London Dispersion Interactions for Compact Membranes Composed of Molecular Ladders

Wagner, J. P.; Schreiner, P. R. J. Chem. Theory Comput. 2014, 10, 1353-1358.

• Cyclopropylhydroxycarbene

Ley, D.; Gerbig, D.; Wagner, J. P.; Reisenauer, H. P.; Schreiner, P. R. J. Am. Chem. Soc. 2011, 133, 13614-13621.