Photochemistry and photophysics of transition metal complexes: Quantum chemistry

The results of recent applications provide an illustration of the role of spin–orbit coupling and environment effects in the photochemistry and photophysics of transition metal complexes and point to the limits of the methods for specific problems, such as accuracy, long-range charge-transfer excite...

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Vydáno v:Coordination chemistry reviews Ročník 282-283; s. 19 - 32
Hlavní autor: Daniel, Chantal
Médium: Journal Article
Jazyk:angličtina
Vydáno: Elsevier B.V 01.01.2015
Elsevier
Témata:
Absorption spectroscopy
Chemical Sciences
Electronic excited states
Environment effects
Quantum chemistry
Spin–orbit coupling
Transition metal complexes
Absorption spectroscopy
Environment effects
Electronic excited states
Spin–orbit coupling
Quantum chemistry
Transition metal complexes
ISSN:0010-8545, 1873-3840, 0010-8545
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Shrnutí:The results of recent applications provide an illustration of the role of spin–orbit coupling and environment effects in the photochemistry and photophysics of transition metal complexes and point to the limits of the methods for specific problems, such as accuracy, long-range charge-transfer excited states and biological environment modeling. •Interpretation and accuracy of electronic absorption spectra.•Long-range charge-transfer excited states and spin–orbit effects.•Photo-induced isomerization and ultra-fast intersystem crossing processes in rhenium (I) α-diimine complexes.•Environment effects on the absorption spectroscopy and photophysics of ruthenium (II) polypyridyl complexes used as DNA intercalators. Methodological aspects are highlighted in connection to three important theoretical issues in the field of transition metal complexes photochemistry and photophysics: (i) accuracy of electronic absorption spectra calculation and their interpretation; (ii) photo-induced isomerization and ultra-fast intersystem crossing processes in rhenium (I) α-diimine complexes; (iii) environment effects on absorption spectroscopy and photophysics of ruthenium (II) polypyridyl complexes. The results of recent applications provide an illustration of the role of spin–orbit coupling and environment effects in the photochemistry and photophysics of transition metal complexes and point to the limits of the methods for specific problems, such as accuracy, long-range charge-transfer excited states and biological environment modeling.
ISSN:0010-8545
1873-3840
0010-8545
DOI:10.1016/j.ccr.2014.05.023