Skip to content
González Research Group

González Research Group

Menu

  • Home
  • People
    • Current
    • Awards
    • Memberships
    • Alumni
    • Guests
  • Teaching
    • Courses
    • Seminars
      • Seminars
      • Search Seminars
    • Bachelor Students
  • Research
    • Overview
    • Financial Support
    • Cooperations
  • Publications
    • Journals
    • Theses
      • Theses
      • Research Internship Protocols
    • Journal Covers
    • Posters
    • Talks
  • Library
  • Join Us
  • Events
  • Photos
  • Internal
    • PC Pool
    • Group Calendar

PostDoc

Dr. Patrick Zobel
University of Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
1090 Vienna
Austria

jan.patrick.zobel@univie.ac.at
+43 1 4277 52757
Google Scholar: pMw2MdkAAAAJ
Focus Area
We study the ultrafast excited-state dynamics of small aromatic molecules containing nitro groups. These molecules constitute widespread environmental pollutants and exhibit quite unexpected physical properties upon photoactivation. They can undergo a process called intersystem crossing on a time scale of hundreds of femtoseconds making them very efficient photosensitizers. The ultrafast nature of this process may not readily be explained by common quantum-chemical models, thus giving a fundamental character to this study on its own.
Awards & Prizes
  • 2014 Doctoral Fellowship Program of the Austrian Academy of Sciences (DOC-Stipendium der OAW)
  • 2013 Dr. Sophie Bernthsen Award of the University of Heidelberg for excellent performance in the study of chemistry
  • 2012 BASF scholarship of the ‘Excellence in Molecular Chemistry‘ program funded by the Institutes of Inorganic and Organic Chemistry of the University of Heidelberg
News
  • 20.03.2023 Das Innenleben von organischen Leuchtdioden (Page 153)
  • 03.03.2023 Molekül-Geheimnis von OLEDs aufgedeckt
  • 23.02.2023 Das Innenleben von organischen Leuchtdioden
  • 23.02.2023 Das Innenleben von organischen Leuchtdioden
  • 23.02.2023 Das Innenleben von organischen Leuchtdioden
  • 11.10.2021 Lichtreaktionen für medizinische Bildgebungsverfahren optimieren
  • 01.08.2018 Chemical Science Impact Factor rises to 9.1
  • 23.11.2016 ChemikerInnen decken Fehleranfälligkeit auf
  • 22.11.2016 Wenn weniger Parameter besser sind
  • 22.11.2016 Wenn weniger Parameter besser sind
Publications
    27. J. Franz, M. Oelschlegel, J. P. Zobel, S. Hua, J. Borter, L. Schmid, G. Morselli, O. Wenger, D. Schwarzer, F. Meyer, L. González
    Bifurcation of Excited-state Population leads to anti-Kasha Luminescence in a Disulfide-decorated Organometallic Rhenium Photosensitizer
    J. Am. Chem. Soc. 146, 11272–11288, (2024), DOI: 10.1021/jacs.4c00548

    J. Franz, M. Oelschlegel, J. P. Zobel, S. Hua, J. Borter, L. Schmid, G. Morselli, O. Wenger, D. Schwarzer, F. Meyer, L. González
    Bifurcation of Excited-state Population leads to anti-Kasha Luminescence in a Disulfide-decorated Organometallic Rhenium Photosensitizer
    Phaidra Univie, (2024)

    26. N. Kovács, P. Zobel
    Computational Screening of Photodynamics of Transition-Metal Complexes
    Chemrxiv , , (2023), DOI: 10.26434/chemrxiv-2023-mbh7p

    25. N. Singer, K. Schloegl, J. P. Zobel, M. Mihovilovic, L. González
    Singlet and Triplet Pathways Determine the Thermal Z/E Isomerization of an Arylazopyrazole-Based Photoswitch
    J. Phys. Chem. Lett. 14, 8956–8961, (2023), DOI: 10.1021/acs.jpclett.3c01785

    24. G. Li Manni, I. F. Galván, A. Alavi, F. Aleotti, F. Aquilante, J. Autschbach, D. Avagliano, A. Baiardi, J. J. Bao, S. Battaglia, L. Birnoschi, A. Blanco-González, S. I. Bokarev, R. Broer, R. Cacciari, P. B. Calio, R. K. Carlson, R. Carvalho Couto, L. Cerdán, L. F. Chibotaru, N. F. Chilton, J. R. Church, I. Conti, S. Coriani, J. Cuéllar-Zuquin, R. E. Daoud, N. Dattani, P. Decleva, C. de Graaf, M. G. Delcey, L. De Vico, W. Dobrautz, S. S. Dong, R. Feng, N. Ferré, M. Filatov(Gulak), L. Gagliardi, M. Garavelli, L. González, Y. Guan, M. Guo, M. R. Hennefarth, M. R. Hermes, C. E. Hoyer, M. Huix-Rotllant, V. K. Jaiswal, A. Kaiser, D. S. Kaliakin , M. Khamesian, D. S. King, V. Kochetov, M. Krośnicki, A. A. Kumaar, E. D. Larsson, S. Lehtola, M.-B. Lepetit, H. Lischka, P. López Ríos, M. Lundberg, D. Ma, S. Mai, P. Marquetand , I. C. D. Merritt, F. Montorsi, M. Mörchen, A. Nenov, V. H. A. Nguyen, Y. Nishimoto, M. S. Oakley, M. Olivucci, M. Oppel, D. Padula, R. Pandharkar, Q. M. Phung, F. Plasser, G. Raggi, E. Rebolini, M. Reiher, I. Rivalta, D. Roca-Sanjuán, T. Romig, A. A. Safari, A. Sánchez-Mansilla, A. M. Sand, I. Schapiro, T. R. Scott, J. Segarra-Martí, F. Segatta, D.-C. Sergentu, P. Sharma, R. Shepard, Y. Shu, J. K. Staab, T. P. Straatsma, L. K. Sørensen, B. N. C. Tenorio, D. G. Truhlar, L. Ungur, M. Vacher, V. Veryazov, T. A. Voss, O. Weser, D. Wu, X. Yang, D. Yarkony, C. Zhou, J. P. Zobel, R. Lindh
    The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
    J. Chem. Theory Comput. 19, 6933-6991, (2023), DOI: 10.1021/acs.jctc.3c00182

    G. Li Manni, I. F. Galván, A. Alavi, F. Aleotti, F. Aquilante, J. Autschbach, D. Avagliano, A. Baiardi, J. J. Bao, S. Battaglia, L. Birnoschi, A. Blanco-González, S. I. Bokarev, R. Broer, R. Cacciari, P. B. Calio, R. K. Carlson, R. Carvalho Couto, L. Cerdán, L. F. Chibotaru, N. F. Chilton, J. R. Church, I. Conti, S. Coriani, J. Cuéllar-Zuquin, R. E. Daoud, N. Dattani, P. Decleva, C. de Graaf, M. G. Delcey, L. De Vico, W. Dobrautz, S. S. Dong, R. Feng, N. Ferré, M. Filatov(Gulak), L. Gagliardi, M. Garavelli, L. González, Y. Guan, M. Guo, M. R. Hennefarth, M. R. Hermes, C. E. Hoyer, M. Huix-Rotllant, V. K. Jaiswal, A. Kaiser, D. S. Kaliakin , M. Khamesian, D. S. King, V. Kochetov, M. Krośnicki, A. A. Kumaar, E. D. Larsson, S. Lehtola, M.-B. Lepetit, H. Lischka, P. López Ríos, M. Lundberg, D. Ma, S. Mai, P. Marquetand , I. C. D. Merritt, F. Montorsi, M. Mörchen, A. Nenov, V. H. A. Nguyen, Y. Nishimoto, M. S. Oakley, M. Olivucci, M. Oppel, D. Padula, R. Pandharkar, Q. M. Phung, F. Plasser, G. Raggi, E. Rebolini, M. Reiher, I. Rivalta, D. Roca-Sanjuán, T. Romig, A. A. Safari, A. Sánchez-Mansilla, A. M. Sand, I. Schapiro, T. R. Scott, J. Segarra-Martí, F. Segatta, D.-C. Sergentu, P. Sharma, R. Shepard, Y. Shu, J. K. Staab, T. P. Straatsma, L. K. Sørensen, B. N. C. Tenorio, D. G. Truhlar, L. Ungur, M. Vacher, V. Veryazov, T. A. Voss, O. Weser, D. Wu, X. Yang, D. Yarkony, C. Zhou, J. P. Zobel, R. Lindh
    The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
    ChemRxiv, (2023), DOI: 10.26434/chemrxiv-2023-b7f0j

    23. J. P. Zobel, A. Wernbacher, L. González
    Efficient Reverse Intersystem Crossing in Carbene-Copper-Amide TADF Emitters via an Intermediate Triplet State
    Angew. Chem. Int. Ed. 62, e202217620, (2023), DOI: 10.1002/anie.202217620

    J. P. Zobel, A. Wernbacher, L. González
    Efficient Reverse Intersystem Crossing in Carbene-Copper-Amide TADF Emitters via an Intermediate Triplet State
    Angew. Chem. , (2023), DOI: 10.1002/ange.202217620

    22. J. P. Zobel, H. Radatz, L. González
    Photodynamics of the Molecular Ruby [Cr(ddpd)2]3+
    Molecules 28, 1668, (2023), DOI: 10.3390/molecules28041668

    This article is part of the special issue:
    Photochemistry and Photophysics of Metal Complexes, (2022)

    21. J. P. Zobel, A. Kruse, O. Baig, S. Lochbrunner, S. I. Bokarev, O. Kühn, L. González, O. S. Bokareva,
    Can Range-Separated Functionals be Optimally Tuned to Predict Spectra and Excited State Dynamics in Photoactive Iron Complexes?
    Chem. Sci. 14, 1491-1502 , (2023), DOI: 10.1039/D2SC05839A

    O. Bokareva, J. P. Zobel, A. Kruse, O. Baig, S. Lochbrunner, L. González, O. Kühn, S. Bokarev,
    Can Range-Separated Functionals be Optimally Tuned to Predict Spectra and Excited State Dynamics in Photoactive Iron Complexes?
    ChemRxiv, (2021), DOI: 10.26434/chemrxiv-2022-1wjbt

    20. M. Franceschini, M. Crosta, R. Ferreira, D. Poletto, N. Demitri, J. P. Zobel, L. González, D. Bonifazi
    Peri-Acenoacene Ribbons with Zig-Zag BN-Doped Peripheries
    J. Am. Chem. Soc. 144, 21470–21484, (2022), DOI: 10.1021/jacs.2c06803

    19. A. Kędziorski, J. P. Zobel, M. Krośnicki, J. Koperski
    Rydberg states of ZnAr complex
    Mol. Phys. 120, e2073282, (2022), DOI: 10.1080/00268976.2022.2073282

    18. E. D. Larsson, J. P. Zobel, V. Veryazov
    Benchmarking ANO-R Basis Set for Multiconfigurational Calculations
    Electron. Struct. 4, 014009, (2022), DOI: 10.1088/2516-1075/ac54c4

    17. J. P. Zobel, M. Heindl, F. Plasser, S. Mai, L. González
    Surface Hopping Dynamics on Vibronic Coupling Models
    Acc. Chem. Res. 54, 3760-3771, (2021), DOI: 10.1021/acs.accounts.1c00485

    16. J. P. Zobel, L. González
    The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes
    J. Am. Chem. Soc. Au. 1, 1116-1140, (2021), DOI: 10.1021/jacsau.1c00252

    J. P. Zobel, L. González
    The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes
    arXiv, (2021)

    Cover Image:
    The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes
    J. Am. Chem. Soc. Au. 1, 1086-1295, (2021)

    15. J. P. Zobel, T. Knoll, L. González
    Ultrafast and Long-time Excited State Kinetics of an NIR-Emissive Vanadium(III) Complex II. Elucidating Triplet-to-Singlet Excited-State Dynamics
    Chem. Sci. 12, 10791-10801, (2021), DOI: 10.1039/D1SC02149D

    This article is part of the themed collection:
    Most Popular 2021 Main Group, Inorganic and Organometallic Chemistry Articles of Chemical Science, (2021)

    14. J. P. Zobel, O. Bokareva, P. Zimmer, C. Wölper, M. Bauer, L. González
    Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer
    Inorg. Chem. 59, 14666-14678, (2020), DOI: 10.1021/acs.inorgchem.0c02147

    13. J. Dudek, A. Kedziorski, J. P. Zobel, M. Krosnicki, T. Urbanczyk, K. Puczka, J. Koperski
    Bound-free and bound-bound multichannel emission spectra from selectively excited Rydberg states in the ZnAr and CdAr van der Waals complexes
    J. Mol. Struct. 1222, 128840, (2020), DOI: 10.1016/j.molstruc.2020.128840

    12. J. P. Zobel, P.-O. Widmark, V. Veryazov
    The ANO-R Basis Set
    J. Chem. Theory Comput. 16, 278-294, (2020), DOI: 10.1021/acs.jctc.9b00873

    11. I. F. Galván, M. Vacher, A. Alavi, C. Angeli, J. Autschbach, J. J. Bao, S. I. Bokarev, N. A. Bogdanov, R. K. Carlson, L. F. Chibotaru, J. Creutzberg, N. Dattani, M. G. Delcey, S. Dong, A. Dreuw, L. Freitag, L. M. Frutos, L. Gagliardi, F. Gendron, A. Giussani, L. González, G. Grell, M. Guo, C. E. Hoyer, M. Johansson, S. Keller, S. Knecht, G. Kovačević, E. Källman, G. Li Manni, M. Lundberg, Y. Ma, S. Mai, J. P. Malhado, P. Å. Malmqvist, P. Marquetand, S. A. Mewes, J. Norell, M. Olivucci, M. Oppel, Q. M. Phung, K. Pierloot, F. Plasser, M. Reiher, A. M. Sand, I. Schapiro, P. Sharma, C. J. Stein, L. K. Sørensen, D. G. Truhlar, M. Ugandi, L. Ungur, A. Valentini, S. Vancoillie, V. Veryazov, O. Weser, T. A. Wesolowski, P.-O. Widmark, S. Wouters, A. Zech, J. P. Zobel, R. Lindh
    OpenMolcas: From Source Code to Insight
    J. Chem. Theory Comput. 15, 5925-5964, (2019), DOI: 10.1021/acs.jctc.9b00532

    I. F. Galván, M. Vacher, A. Alavi, C. Angeli, J. Autschbach, J. J. Bao, S. I. Bokarev, N. A. Bogdanov, R. K. Carlson, L. F. Chibotaru, J. Creutzberg, N. Dattani, M. G. Delcey, S. Dong, A. Dreuw, L. Freitag, L. M. Frutos, L. Gagliardi, F. Gendron, A. Giussani, L. González, G. Grell, M. Guo, C. E. Hoyer, M. Johansson, S. Keller, S. Knecht, G. Kovačević, E. Källman, G. Li Manni, M. Lundberg, Y. Ma, S. Mai, J. P. Malhado, P. Å. Malmqvist, P. Marquetand, S. A. Mewes, J. Norell, M. Olivucci, M. Oppel, Q. M. Phung, K. Pierloot, F. Plasser, M. Reiher, A. M. Sand, I. Schapiro, P. Sharma, C. J. Stein, L. K. Sørensen, D. G. Truhlar, M. Ugandi, L. Ungur, A. Valentini, S. Vancoillie, V. Veryazov, O. Weser, P.-O. Widmark, S. Wouters, J. P. Zobel, R. Lindh
    OpenMolcas: From Source Code to Insight
    ChemRxiv, (2019), DOI: 10.26434/chemrxiv.8234021

    10. J. P. Zobel, L. González
    Nonadiabatic Dynamics Simulation Predict Intersystem Crossing in Nitroaromatic Molecules on a Picosecond Time Scale
    ChemPhotoChem 3, 833-845, (2019), DOI: 10.1002/cptc.201900108

    9. J. P. Zobel, J. J. Nogueira, L. González
    Finite-Temperature Wigner Phase-Space Sampling and Temperature Effects on the Excited-State Dynamics of 2-Nitronaphthalene
    Phys. Chem. Chem. Phys. 21, 13906-13915, (2019), DOI: 10.1039/C8CP03273D

    8. P.-O. Widmark, J. P. Zobel, V. P. Vysotskiy, T. Tsuchiya, V. Veryazov
    New Compact Density Matrix Averaged ANO Basis Sets for Relativistic Calculations
    J. Chem. Phys. 149, 194102, (2018), DOI: 10.1063/1.5047280

    7. J. P. Zobel, M. Heindl, J. J. Nogueira, L. González
    Vibrational Sampling and Solvent Effects on the Electronic Structure of the Absorption Spectrum of 2-Nitronaphthalene
    J. Chem. Theory Comput. 14, 3205-3217, (2018), DOI: 10.1021/acs.jctc.8b00198

    6. J. P. Zobel, J. J. Nogueira, L. González
    The Mechanism of Ultrafast Intersystem Crossing in 2-Nitronaphthalene
    Chem. Eur. J. 24, 5379-5387, (2018), DOI: 10.1002/chem.201705854

    5. J. P. Zobel, J. J. Nogueira, L. González
    The IPEA Dilemma in CASPT2
    Chem. Sci. 8, 1482-1499, (2017), DOI: 10.1039/C6SC03759C

    4. J. P. Zobel, J. J. Nogueira, L. González
    Quenching of Charge Transfer in Nitrobenzene Induced by Vibrational Motion
    J. Phys. Chem. Lett. 6, 3006-3011, (2015), DOI: 10.1021/acs.jpclett.5b00990

    3. J. P. Zobel, N. V. Kryzhevoi, M. Pernpointner
    Communication: Electron transfer mediated decay enabled by spin-orbit interaction in small krypton/xenon clusters
    J. Chem. Phys. 140, 161103, (2014), DOI: 10.1063/1.4873134

    2. M. Pernpointner, J. P. Zobel, E. Faßhauer, A. N. Sil
    Spin-orbit effects, electronic decay and breakdown phenomena in the photoelectron spectra of iodomethane
    Chem. Phys. 407, 39-45, (2012), DOI: 10.1016/j.chemphys.2012.08.015

    1. M. Pernpointner, J. P. Zobel, N. V. Kryzhevoi
    Strong configuration interaction in the double ionization spectra of noble gases studied by the relativistic propagator method
    Phys. Rev. A 85, 012505, (2012), DOI: 10.1103/PhysRevA.85.012505

Contact:
Univ.-Prof. Dr. Dr. h.c. Leticia González

Universität Wien
Institut für Theoretische Chemie
Währinger Str. 17 A-1090 Wien

phone:
+43-1-4277-52751 (secretary)
+43-1-4277-52750 (Prof. González)

email: office.theochem@univie.ac.at

  • Institute of Theoretical Chemistry
  • Faculty of Chemistry
  • University of Vienna
  • Sharc MD Program
  • ViRAPID
  • Catalight
  • Arbeitsgemeinschaft Theoretische Chemie
  • iStOMPS
  • Imprint
  • Privacy policy

Map
Copyright © 2025 González Research Group. Powered by WordPress. Theme: Spacious by ThemeGrill.