Electronic Structures of Heterometallic Complexes [Ru(NO)(NO2)4(OH)ZnLn] According to the Data of Quantum-Chemical Calculations and Photoelectron Spectroscopy | Sciact - CRIS-система Института катализа

Electronic Structures of Heterometallic Complexes [Ru(NO)(NO2)4(OH)ZnLn] According to the Data of Quantum-Chemical Calculations and Photoelectron Spectroscopy Научная публикация

Журнал

Russian Journal of Coordination Chemistry
ISSN: 1070-3284 , E-ISSN: 1608-3318

Вых. Данные

Год: 2012, Том: 38, Номер: 8, Страницы: 535-544 Страниц : 10 DOI: 10.1134/S107032841207007X

Ключевые слова

Coordination Chemistry; Zinc Atom; TPPO; Nitroso Group; Heterometallic Complex

Авторы

Kostin G.A. ^1,2 , Borodin A.O. ¹ , Kryuchkova N.A. ^1,2 , Kuratʹeva N. ^1,2 , Boronin A.I. ^2,3 , Gulyaev R.V. ³

Организации

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, pr. akademika Lavrent’eva 3, Novosibirsk, 630090 Russia
2	Novosibirsk State University, ul. Pirogova 2, Novosibirsk, 630090 Russia
3	Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, pr. akademika Lavrent’eva 5, Novosibirsk, 630090 Russia

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.

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 CAPlusCA OpenAlex

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

Поступила в редакцию:	23 авг. 2011 г.
Опубликована в печати:	1 авг. 2012 г.
Опубликована online:	8 авг. 2012 г.

Web of science:	WOS:000307396100005
Scopus:	2-s2.0-84865384489
РИНЦ:	20471078
Chemical Abstracts:	2012:1160755
Chemical Abstracts (print):	157:480278
OpenAlex:	W1971421078

БД	Цитирований
Web of science	2
Scopus	2
РИНЦ	2
OpenAlex	2