Origin of electronic absorption spectra of MLCT-excited and one-electron reduced 2,2-bipyridine and 1,10-phenanthroline complexes

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F11%3A00361412" target="_blank" >RIV/61388955:_____/11:00361412 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.ica.2011.02.084" target="_blank" >http://dx.doi.org/10.1016/j.ica.2011.02.084</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ica.2011.02.084" target="_blank" >10.1016/j.ica.2011.02.084</a>

Result language
angličtina
Original language name
Origin of electronic absorption spectra of MLCT-excited and one-electron reduced 2,2-bipyridine and 1,10-phenanthroline complexes
Original language description
UV?Vis absorption spectra of one-electron reduction products and 3MLCT excited states of [ReICl(CO)3(N,N)] (N,N = 2,2-bipyridine, bpy; 1,10-phenanthroline, phen) have been measured by low-temperature spectroelectrochemistry and UV?Vis transient absorption spectroscopy, respectively, and assigned by open-shell TD-DFT calculations. The characters of the electronic transitions are visualized and analyzed using electron density redistribution maps. It follows that reduced and excited states can be approximately formulated as [ReICl(CO)3(N,Nradical dot)] and *[ReIICl(CO)3(N,Nradical dot)], respectively. UV?Vis spectra of the reduced complexes are dominated by IL transitions, plus weaker MLCT contributions. Excited-state spectra show an intense band in the UV region of not, vert, similar50% IL origin mixed with LMCT (bpy, 373 nm) or MLCT (phen, 307 nm) excitations. Because of the significant IL contribution, this spectral feature is akin to the principal IL band of the anions.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CG - Electrochemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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