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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CG - Elektrochemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Inorganica chimica acta

ISSN

0020-1693

e-ISSN

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Svazek periodika

374

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

578-585

Kód UT WoS článku

000292962900072

EID výsledku v databázi Scopus

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