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Bokarev, Sergey I., Bokareva, Olga S., Kühn, Oliver (2012) Electronic excitation spectrum of the photosensitizer [Ir(ppy)2(bpy)]+. The Journal of Chemical Physics, 136 (21). 214305pp. doi:10.1063/1.4723808

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Reference TypeJournal (article/letter/editorial)
TitleElectronic excitation spectrum of the photosensitizer [Ir(ppy)2(bpy)]+
JournalThe Journal of Chemical Physics
AuthorsBokarev, Sergey I.Author
Bokareva, Olga S.Author
Kühn, OliverAuthor
Year2012 (June 7)Volume136
Issue21
PublisherAIP Publishing
DOIdoi:10.1063/1.4723808Search in ResearchGate
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Mindat Ref. ID2352013Long-form Identifiermindat:1:5:2352013:6
GUID0
Full ReferenceBokarev, Sergey I., Bokareva, Olga S., Kühn, Oliver (2012) Electronic excitation spectrum of the photosensitizer [Ir(ppy)2(bpy)]+. The Journal of Chemical Physics, 136 (21). 214305pp. doi:10.1063/1.4723808
Plain TextBokarev, Sergey I., Bokareva, Olga S., Kühn, Oliver (2012) Electronic excitation spectrum of the photosensitizer [Ir(ppy)2(bpy)]+. The Journal of Chemical Physics, 136 (21). 214305pp. doi:10.1063/1.4723808
In(2012, June) The Journal of Chemical Physics Vol. 136 (21) AIP Publishing

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Bokareva, Olga S., Bokarev, Sergey I., Kühn, Oliver (2012) Electronic excitation spectra of the [Ir(ppy)2(bpy)]+ photosensitizer bound to small silver clusters Agn (n = 1–6). Physical Chemistry Chemical Physics, 14 (14). 4977pp. doi:10.1039/c2cp00011c
Bokarev, Sergey I., Hollmann, Dirk, Pazidis, Alexandra, Neubauer, Antje, Radnik, Jörg, Kühn, Oliver, Lochbrunner, Stefan, Junge, Henrik, Beller, Matthias, Brückner, Angelika (2014) Spin density distribution after electron transfer from triethylamine to an [Ir(ppy)2(bpy)]+ photosensitizer during photocatalytic water reduction. Physical Chemistry Chemical Physics, 16 (10). 4789pp. doi:10.1039/c3cp54922d
Bokareva, Olga, Möhle, Tobias, Neubauer, Antje, Bokarev, Sergey, Lochbrunner, Stefan, Kühn, Oliver (2017) Chemical Tuning and Absorption Properties of Iridium Photosensitizers for Photocatalytic Applications. Inorganics, 5 (2) 23 doi:10.3390/inorganics5020023
Bokareva, Olga S., Kühn, Oliver (2015) Quantum chemical study of the electronic properties of an Iridium-based photosensitizer bound to medium-sized silver clusters. Chemical Physics, 457. 1-6 doi:10.1016/j.chemphys.2015.05.004
Zobel, J. Patrick, Kruse, Ayla, Baig, Omar, Lochbrunner, Stefan, Bokarev, Sergey I., Kühn, Oliver, González, Leticia, Bokareva, Olga S. (2023) Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes?. Chemical Science, 14 (6) 1491-1502 doi:10.1039/d2sc05839a
Bokareva, Olga S., Kühn, Oliver (2014) DFT-D investigation of the interaction between Ir (III) based photosensitizers and small silver clusters Agn (n=2–20,92). Chemical Physics, 435. 40-48 doi:10.1016/j.chemphys.2014.03.002
Karsten, Sven, Ivanov, Sergei D., Bokarev, Sergey I., Kühn, Oliver (2018) Quasi-classical approaches to vibronic spectra revisited. The Journal of Chemical Physics, 148 (10). 102337pp. doi:10.1063/1.5011764
Karsten, Sven, Ivanov, Sergei D., Bokarev, Sergey I., Kühn, Oliver (2018) Simulating vibronic spectra via Matsubara-like dynamics: Coping with the sign problem. The Journal of Chemical Physics, 149 (19). 194103pp. doi:10.1063/1.5046874
Friedrich, Aleksej, Bokareva, Olga S., Luo, Shu-Ping, Junge, Henrik, Beller, Matthias, Kühn, Oliver, Lochbrunner, Stefan (2018) Effective quenching and excited-state relaxation of a Cu(I) photosensitizer addressed by time-resolved spectroscopy and TDDFT calculations. Chemical Physics, 515. 557-563 doi:10.1016/j.chemphys.2018.08.048
Karsten, Sven, Bokarev, Sergey I., Aziz, Saadullah G., Ivanov, Sergei D., Kühn, Oliver (2017) A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy. The Journal of Chemical Physics, 146 (22). 224203pp. doi:10.1063/1.4984930
Grell, Gilbert, Bokarev, Sergey I., Winter, Bernd, Seidel, Robert, Aziz, Emad F., Aziz, Saadullah G., Kühn, Oliver (2015) Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling. The Journal of Chemical Physics, 143 (7). 74104pp. doi:10.1063/1.4928511
 
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