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

Result code in 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>

Result on the web

<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>

Result language

angličtina

Original language name

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

Original language description

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

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CG - Electrochemistry

OECD FORD branch

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Project

<a href="/en/project/LD11086" target="_blank" >LD11086: Quantum chemical interpretation and prediction of spectral characteristics of heavy transition metal complexes</a><br>

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2012

Confidentiality

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

Name of the periodical

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

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Volume of the periodical

51

Issue of the periodical within the volume

4

Country of publishing house

US - UNITED STATES

Number of pages

8

Pages from-to

2097-2104

UT code for WoS article

000300466300018

EID of the result in the Scopus database

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