Solar Cell Sensitizer Models [Ru(bpy-R)(2)(NCS)(2)] Probed by Spectroelectrochemistry

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F12%3A00377161" target="_blank" >RIV/61388955:_____/12:00377161 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/ic201825h" target="_blank" >http://dx.doi.org/10.1021/ic201825h</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/ic201825h" target="_blank" >10.1021/ic201825h</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Solar Cell Sensitizer Models [Ru(bpy-R)(2)(NCS)(2)] Probed by Spectroelectrochemistry

Popis výsledku v původním jazyce

Complexes [Ru(bpy-R)(2)(NCS)(2)], where R = H (1), 4,4'-(CO2Et)(2) (2), 4,4'-(OMe)(2) (3), and 4,4'-Me-2 (4), were studied by spectroelectrochemistry in the UV-vis and IR regions and by in situ electron paramagnetic resonance (EPR). The experimental information obtained for the frontier orbitals as supported and ascertained by density functional theory (DFT) calculations for 1 is relevant for the productive excited state. In addition to the parent 1, the ester complex 2 was chosen for its relationship to the carboxylate species involved for binding to TiO2 in solar cells; the donor-substituted 3 and 4 allowed for better access to oxidized forms. Reflecting the metal-to-ligand (Ru -> bpy) charge-transfer characteristics of the compounds, the electrochemical and EPR results for compounds 1-4 agree with previous notions of one metal-centered oxidation and several (bpy-R) ligand-centered reductions. The first one-electron reduction produces extensive IR absorption, including intraligand tr

Název v anglickém jazyce

Solar Cell Sensitizer Models [Ru(bpy-R)(2)(NCS)(2)] Probed by Spectroelectrochemistry

Popis výsledku anglicky

Complexes [Ru(bpy-R)(2)(NCS)(2)], where R = H (1), 4,4'-(CO2Et)(2) (2), 4,4'-(OMe)(2) (3), and 4,4'-Me-2 (4), were studied by spectroelectrochemistry in the UV-vis and IR regions and by in situ electron paramagnetic resonance (EPR). The experimental information obtained for the frontier orbitals as supported and ascertained by density functional theory (DFT) calculations for 1 is relevant for the productive excited state. In addition to the parent 1, the ester complex 2 was chosen for its relationship to the carboxylate species involved for binding to TiO2 in solar cells; the donor-substituted 3 and 4 allowed for better access to oxidized forms. Reflecting the metal-to-ligand (Ru -> bpy) charge-transfer characteristics of the compounds, the electrochemical and EPR results for compounds 1-4 agree with previous notions of one metal-centered oxidation and several (bpy-R) ligand-centered reductions. The first one-electron reduction produces extensive IR absorption, including intraligand tr

Druh

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

CEP obor

CG - Elektrochemie

OECD FORD obor

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Projekt

<a href="/cs/project/LD11086" target="_blank" >LD11086: Kvantově chemická interpretace a predikce spektrálních vlastností komplexů těžkých přechodných kovů.</a><br>

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2012

Kód důvěrnosti údajů

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

Název periodika

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

—

Svazek periodika

51

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

2097-2104

Kód UT WoS článku

000300466300018

EID výsledku v databázi Scopus

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