RESEARCH PUBLICATIONS

22. Tunneling control of the reactivity of noradamantylmethylcarbene – Rearrangements under cryogenic conditions

M. John, W. Sander, T. Schleif, ChemRxiv (DOI: 10.1002/ejoc.202500656)

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21. Role of Quantum Tunneling in Synthetic Organic Chemistry

T. Schleif, A. Nandi, Eur. J. Org. Chem. 2025, 28, e202500656. (DOI: 10.26434/chemrxiv-2025-86vlb)

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20. Geminal Hyperconjugation as a Driving Force for C–C Bond Shortening in Heavy-Atom Tunneling
C. J. Laconsay, I. Jain, T. Schleif, W. L. Karney, J. I. Wu, Chem. Sci. 2025,16, 17444-17449 (DOI: 10.1039/D5SC02914G)

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19. Cryogenic Rearrangements of Spiroheptadiyl: Light or Heavy Quantum Tunneling?

Y. Avivi, J. J. Santoyo-Flores, T. Schleif, S. Kozuch, J. Phys. Chem. Lett. 2024, 16 (1), 163-167 (DOI: https://doi.org/10.1021/acs.jpclett.4c02843)

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18. Elusive Arylalkylcarbenes in Solution and in Crystals: Facile 1,2-R (R = H, Ph) Migrations of 1,2,2-Triphenylethylidene

J. Fajardo Jr., J. F. Rowen, T. Schleif, P. Jariwala, M. Garcia-Garibay, J. Am. Chem. Soc. 2024, 146 (33), 23221-23229 (DOI: 10.1021/jacs.4c05452)

 

17. Hydrogen Tag Shifts as Vibrational Reporters for Positional Isomers of Formylphenides: Surprising Mobility of the Carbanion Center upon Collisional Decarboxylation of the Parent Benzoates

O. C. Moss, T. Schleif, J. P. Messinger, A. G. Rullán Buxó, K. Greis, E. H. Perez, M. A. Johnson, J. Phys. Chem. Lett. 2024, 15 (7), 1969-1974 (DOI: 10.1021/acs.jpclett.3c03514)

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16. Heavy-Atom Tunneling in Bicyclo[4.1.0]hepta-2,4,6-trienes

M. Prado Merini, T. Schleif, W. Sander, Angew. Chem. Int. Ed. 2023, 135 (44), e202309717 (DOI: 10.1002/anie.202309717)

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15. Intra-cluster charge migration upon hydration of protonated formic acid revealed by anharmonic analysis of cold ion vibrational spectra

T. Khuu, T. Schleif, A. Mohamed, S. Mitra, M. A. Johnson, J. Valdiviezo, J. P. Heindel, T. Head-Gordon, J. Phys. Chem. A 2023, 127 (36), 7501-7509 (DOI: 10.1021/acs.jpca.3c03971)

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14. Isomer-Specific Heavy-Atom Tunneling in the Ring Expansion of Fluorenylazirines

J. F. Rowen, F. Beyer, T. Schleif, W. Sander, J. Org. Chem. 2023, 88 (13), 7893-7900 (DOI: 10.1021/acs.joc.3c00484)

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13. Characterization of Oxidation Products from HOCl Uptake by Microhydrated Methionine Anions using Cryogenic Ion Vibrational Spectroscopy

S. J. Stropoli, K. Greis, T. Schleif, M. A. Johnson, J. Phys. Chem. A 2023, 127 (19), 4269–4276 (DOI: 10.1021/acs.jpca.3c00509)

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12. Structures and Chemical Rearrangements of Benzoate Derivatives Following Gas Phase Decarboxylation

E. H. Perez, T. Schleif, J. P. Messinger, A. G. Rullán Buxó, O. C. Moss, K. Greis, M. A. Johnson, J. Am. Soc. Mass Spectrom. 2022, 33 (10), 1914-1920 (DOI: 10.1021/jasms.2c00188)

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11. Transformations of Strained Three-Membered Rings as Common, Yet Overlooked Motif in Heavy-Atom Tunneling Reactions

T. Schleif, Chem. Eur. J. 2022, 28, e202201775 (DOI: 10.1002/chem.202201775)

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10. Solvation Effects on Quantum Tunneling Reactions

T. Schleif, M. Prado Merini, S. Henkel, W. Sander, Acc. Chem. Res. 2022, 55 (16), 2180–2190 (DOI: 10.1021/acs.accounts.2c00151)

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9. Photolysis and thermolysis of (iodomethyl)cyclopropane: Rapid ring opening of cyclopropylcarbinyl via heavy-atom tunneling?

T. Schleif, W. Sander, J. Phys. Org. Chem. 2022, 35 (2), e4295 (DOI: 10.1002/poc.4295)

 

8. Sequential Hydrogen Tunneling in o-Tolylmethylene

T. Lohmiller, S. K. Sarkar, J. Tatchen, S. Henkel, T. Schleif, A. Savitsky, E. Sanchez-Garcia, W. Sander, Chem. Eur. J. 2021, 27, 17873- 17879 (DOI: 10.1002/chem.202102010)

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7. Quantum mechanical tunnelling: the missing term to achieve sub-kJ mol−1 barrier heights

S. Kozuch, T. Schleif, A. Karton, Phys. Chem. Chem. Phys. 2021, 23, 10888-10898 (DOI: 10.1039/D1CP01275D)

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6. The Mystery of the Benzene Oxide – Oxepin Equilibrium – Heavy Atom Tunneling Reversed by Solvent Interactions

T. Schleif, M. Prado Merini, W. Sander, Angew. Chem. Int. Ed. 2020, 59, 20318-20322 (DOI: 10.1002/anie.202010452)

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5. Heavy‐Atom Tunneling in Semibullvalenes: How Driving Force, Substituents, and Environment Influence the Tunneling Rates

T. Schleif, J. Tatchen, J. F. Rowen, F. Beyer, E. Sanchez-Garcia, W. Sander, Chem. Eur. J. 2020, 26, 10452 –10458 (DOI: 10.1002/chem.202001202)

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4. Conformer-Specific Heavy-Atom Tunneling in the Rearrangement of Benzazirines to Ketenimines

T. Schleif, J. Mieres Perez, S. Henkel, E. Mendez-Vega, H. Inui, R. J. McMahon, W. Sander, J. Org. Chem. 2019, 84, 16013−16018 (DOI: 10.1021/acs.joc.9b02482)

 

3. The Cope Rearrangement of 1,5-Dimethylsemibullvalene-2(4)-d1: Experimental Evidence for Heavy-Atom Tunneling
T. Schleif, J. Mieres Perez, S. Henkel, M. Ertelt, W. T. Borden, W. Sander, Angew. Chem. Int. Ed. 2017, 56, 10746-10749 (DOI: 10.1002/anie.201704787)

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2. Dinitreno pentaradicals: organic sextet molecules
J. Mieres-Perez, S. Henkel, E. Mendez-Vega, T. Schleif, T. Lohmiller, A. Savitsky, W. Sander, J. Phys. Org. Chem. 2017, 30, e3621 (DOI: 10.1002/poc.3621)

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1. Azulenylcarbenes: Rearrangements on the C11H8 Potential Energy Surface
S. Henkel, C. H. Pollok, T. Schleif, W. Sander, Chem. Eur. J. 2016, 22, 12479-12486 (DOI: 10.1002/chem.201601390)