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Short-lived intermediates in photochemistry of an OsCl6 2- complex in aqueous solutions. / Rogozina, Marina V.; Yudanov, Vladislav V.; Fedunov, Roman G. et al.

In: Photochemical and Photobiological Sciences, Vol. 17, No. 1, 01.01.2018, p. 18-26.

Research output: Contribution to journal › Article › peer-review

Harvard

Rogozina, MV, Yudanov, VV, Fedunov, RG, Pozdnyakov, IP, Melnikov, AA, Chekalin, SV & Glebov, EM 2018, 'Short-lived intermediates in photochemistry of an OsCl6 2- complex in aqueous solutions', Photochemical and Photobiological Sciences, vol. 17, no. 1, pp. 18-26. https://doi.org/10.1039/c7pp00299h

APA

Rogozina, M. V., Yudanov, V. V., Fedunov, R. G., Pozdnyakov, I. P., Melnikov, A. A., Chekalin, S. V., & Glebov, E. M. (2018). Short-lived intermediates in photochemistry of an OsCl6 2- complex in aqueous solutions. Photochemical and Photobiological Sciences, 17(1), 18-26. https://doi.org/10.1039/c7pp00299h

Vancouver

Rogozina MV, Yudanov VV, Fedunov RG, Pozdnyakov IP, Melnikov AA, Chekalin SV et al. Short-lived intermediates in photochemistry of an OsCl6 2- complex in aqueous solutions. Photochemical and Photobiological Sciences. 2018 Jan 1;17(1):18-26. doi: 10.1039/c7pp00299h

Author

Rogozina, Marina V. ; Yudanov, Vladislav V. ; Fedunov, Roman G. et al. / Short-lived intermediates in photochemistry of an OsCl6 2- complex in aqueous solutions. In: Photochemical and Photobiological Sciences. 2018 ; Vol. 17, No. 1. pp. 18-26.

BibTeX

@article{3350304f350946d4b571cf4214168356,
title = "Short-lived intermediates in photochemistry of an OsCl6 2- complex in aqueous solutions",
abstract = "Two mechanisms of OsIVCl6 2- photolysis were studied by means of quantum chemical calculations in gas and aqueous phases. The difference between these mechanisms is in the nature of the possible Os(iv) key intermediates (KI). According to calculations, the intermediate is an OsIVCl5 - complex of square pyramidal coordination geometry. The calculations do not give an opportunity to make an unambiguous choice between the triplet and quintet multiplicities of OsIVCl5 -. The calculated CASSCF/IMCP-SR1 transition energies for 5OsIVCl5 - are lower than for 3OsIVCl5 -, while the calculated XMC-QDPT2/SBKJC spectra for the triplet state are in better agreement with the experimental absorption spectrum of the KI than for the quintet state.",
keywords = "ELECTRON-TRANSFER SPECTRA, LASER FLASH-PHOTOLYSIS, MODEL CORE POTENTIALS, COORDINATION-COMPOUNDS, TRANSITION-METALS, IRCL62-COMPLEX, PTCL62-COMPLEX, EXCITED-STATES, SPIN-CROSSOVER, ULTRAFAST",
author = "Rogozina, {Marina V.} and Yudanov, {Vladislav V.} and Fedunov, {Roman G.} and Pozdnyakov, {Ivan P.} and Melnikov, {Alexey A.} and Chekalin, {Sergey V.} and Glebov, {Evgeni M.}",
note = "Publisher Copyright: {\textcopyright} 2018 The Royal Society of Chemistry and Owner Societies.",
year = "2018",
month = jan,
day = "1",
doi = "10.1039/c7pp00299h",
language = "English",
volume = "17",
pages = "18--26",
journal = "Photochemical and Photobiological Sciences",
issn = "1474-905X",
publisher = "Royal Society of Chemistry",
number = "1",

}

RIS

TY - JOUR

T1 - Short-lived intermediates in photochemistry of an OsCl6 2- complex in aqueous solutions

AU - Rogozina, Marina V.

AU - Yudanov, Vladislav V.

AU - Fedunov, Roman G.

AU - Pozdnyakov, Ivan P.

AU - Melnikov, Alexey A.

AU - Chekalin, Sergey V.

AU - Glebov, Evgeni M.

N1 - Publisher Copyright: © 2018 The Royal Society of Chemistry and Owner Societies.

PY - 2018/1/1

Y1 - 2018/1/1

N2 - Two mechanisms of OsIVCl6 2- photolysis were studied by means of quantum chemical calculations in gas and aqueous phases. The difference between these mechanisms is in the nature of the possible Os(iv) key intermediates (KI). According to calculations, the intermediate is an OsIVCl5 - complex of square pyramidal coordination geometry. The calculations do not give an opportunity to make an unambiguous choice between the triplet and quintet multiplicities of OsIVCl5 -. The calculated CASSCF/IMCP-SR1 transition energies for 5OsIVCl5 - are lower than for 3OsIVCl5 -, while the calculated XMC-QDPT2/SBKJC spectra for the triplet state are in better agreement with the experimental absorption spectrum of the KI than for the quintet state.

AB - Two mechanisms of OsIVCl6 2- photolysis were studied by means of quantum chemical calculations in gas and aqueous phases. The difference between these mechanisms is in the nature of the possible Os(iv) key intermediates (KI). According to calculations, the intermediate is an OsIVCl5 - complex of square pyramidal coordination geometry. The calculations do not give an opportunity to make an unambiguous choice between the triplet and quintet multiplicities of OsIVCl5 -. The calculated CASSCF/IMCP-SR1 transition energies for 5OsIVCl5 - are lower than for 3OsIVCl5 -, while the calculated XMC-QDPT2/SBKJC spectra for the triplet state are in better agreement with the experimental absorption spectrum of the KI than for the quintet state.

KW - ELECTRON-TRANSFER SPECTRA

KW - LASER FLASH-PHOTOLYSIS

KW - MODEL CORE POTENTIALS

KW - COORDINATION-COMPOUNDS

KW - TRANSITION-METALS

KW - IRCL62-COMPLEX

KW - PTCL62-COMPLEX

KW - EXCITED-STATES

KW - SPIN-CROSSOVER

KW - ULTRAFAST

UR - http://www.scopus.com/inward/record.url?scp=85040905166&partnerID=8YFLogxK

U2 - 10.1039/c7pp00299h

DO - 10.1039/c7pp00299h

M3 - Article

C2 - 29143059

AN - SCOPUS:85040905166

VL - 17

SP - 18

EP - 26

JO - Photochemical and Photobiological Sciences

JF - Photochemical and Photobiological Sciences

SN - 1474-905X

IS - 1

ER -

ID: 12101412