Počet záznamů: 1
Origin of electronic absorption spectra of MLCT-excited and one-electron reduced 2,2′-bipyridine and 1,10-phenanthroline complexes
- 1.
SYSNO ASEP 0361412 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Origin of electronic absorption spectra of MLCT-excited and one-electron reduced 2,2′-bipyridine and 1,10-phenanthroline complexes Tvůrce(i) Záliš, Stanislav (UFCH-W) RID, ORCID
Consani, C. (CH)
Nahhas, A. E. (CH)
Cannizzo, A. (CH)
Chergui, M. (CH)
Hartl, F. (GB)
Vlček, Antonín (UFCH-W) RID, ORCIDZdroj.dok. Inorganica chimica acta. - : Elsevier - ISSN 0020-1693
Roč. 374, č. 1 (2011), s. 578-585Poč.str. 8 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova TDDFT ; diimines ; spectroelectrochemistry Vědní obor RIV CG - Elektrochemie CEP LD11082 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy LD11086 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000292962900072 DOI 10.1016/j.ica.2011.02.084 Anotace 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. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2012
Počet záznamů: 1