Electronic Structures of Heterometallic Complexes [Ru(NO)(NO2)4(OH)ZnLn] According to the Data of Quantum-Chemical Calculations and Photoelectron Spectroscopy Full article
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Russian Journal of Coordination Chemistry
ISSN: 1070-3284 , E-ISSN: 1608-3318 |
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| Output data | Year: 2012, Volume: 38, Number: 8, Pages: 535-544 Pages count : 10 DOI: 10.1134/S107032841207007X | ||||||
| Tags | Coordination Chemistry; Zinc Atom; TPPO; Nitroso Group; Heterometallic Complex | ||||||
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Abstract:
A new complex [Ru(NO)(NO2)4(OH)Zn(PyO)2(H2O)](PyO is pyridine-N-oxide) is synthesized and structurally characterized. The new complex has the face coordination of the [Ru(NO)(NO2)4(OH)]2− anion to the Zn2+ cation similar to that in the earlier obtained complexes with other organic ligands. The methods of quantum chemistry and photoelectron spectroscopy show that the electronic structures of the [Ru(NO)(NO2)4(OH)ZnL n ] heterometallic complexes depend weakly on the nature of the ligands (L = Ph3PO, C5H5N, and C5H5N-O) coordinated to Zn2+ and are primarily determined by the electron density redistribution from the terminal nitro and nitroso groups of the ruthenium fragment to the zinc atom. The maximum change in the charge related to the nitroso group correlates with the strongest change in the energy of the occupied molecular orbital (HOMO-2 of the anion) oriented along the NO-Ru-OH coordinate.
Cite:
Kostin G.A.
, Borodin A.O.
, Kryuchkova N.A.
, Kuratʹeva N.
, Boronin A.I.
, Gulyaev R.V.
Electronic Structures of Heterometallic Complexes [Ru(NO)(NO2)4(OH)ZnLn] According to the Data of Quantum-Chemical Calculations and Photoelectron Spectroscopy
Russian Journal of Coordination Chemistry. 2012. V.38. N8. P.535-544. DOI: 10.1134/S107032841207007X WOS Scopus РИНЦ ANCAN OpenAlex
Electronic Structures of Heterometallic Complexes [Ru(NO)(NO2)4(OH)ZnLn] According to the Data of Quantum-Chemical Calculations and Photoelectron Spectroscopy
Russian Journal of Coordination Chemistry. 2012. V.38. N8. P.535-544. DOI: 10.1134/S107032841207007X WOS Scopus РИНЦ ANCAN OpenAlex
Original:
Костин Г.А.
, Бородин А.О.
, Крючкова Н.А.
, Куратьева Н.
, Боронин А.И.
, Гуляев Р.В.
Электронное строение гетерометаллических комплексов [Ru(NO)(NO2)4(OH)ZnLn] по данным квантово-химических расчетов и фотоэлектронной спектроскопии
Координационная химия. 2012. Т.38. №8. С.566-574. РИНЦ
Электронное строение гетерометаллических комплексов [Ru(NO)(NO2)4(OH)ZnLn] по данным квантово-химических расчетов и фотоэлектронной спектроскопии
Координационная химия. 2012. Т.38. №8. С.566-574. РИНЦ
Dates:
| Submitted: | Aug 23, 2011 |
| Published print: | Aug 1, 2012 |
| Published online: | Aug 8, 2012 |
Identifiers:
| Web of science: | WOS:000307396100005 |
| Scopus: | 2-s2.0-84865384489 |
| Elibrary: | 20471078 |
| Chemical Abstracts: | 2012:1160755 |
| Chemical Abstracts (print): | 157:480278 |
| OpenAlex: | W1971421078 |