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Interatomic Interactions in M2(C8H4O4)2C6H12N2 (M = Zn, Cu, Co, Ni) Metal-Organic Framework Polymers: X-Ray Photoelectron Spectroscopy, QTAIM and ELF Study Научная публикация

Журнал Journal of Molecular Structure
ISSN: 0022-2860
Вых. Данные Год: 2017, Том: 150, Страницы: 268-273 Страниц : 6 DOI: 10.1016/j.molstruc.2017.08.077
Ключевые слова Electron Localization Function, MOF, QTAIM, X-ray photoelectron spectra
Авторы Kozlova S.G. 1,2,3 , Ryzhikov M.R. 1,3 , Samsonenko D.G. 1,3 , Kalinkin A.V. 4
Организации
1 Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Lavrentyev Av., 3, 630090 Novosibirsk, Russian Federation
2 Shukhov Belgorod State Technological University, Kostukova Av., 46, 308012 Belgorod, Russian Federation
3 Novosibirsk State University, Pirogova Street, 2, 630090 Novosibirsk, Russian Federation
4 Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Lavrentyev Av., 5, 630090 Novosibirsk, Russian Federation

Информация о финансировании (1)

1 Российский научный фонд 16-12-10016

Реферат: Interatomic interactions in M2(C8H4O4)2C6H12N2 (M = Co, Ni, Cu, Zn) metal-organic framework polymers have been studied with the methods of quantum chemistry and X-ray photoelectron spectroscopy. Interactions of C6H12N2 molecules and C8H4O4 2− anions with metal atoms are shown to be of closed-shell type. C6H12N2 molecules are positively charged, the value of the charge slightly depends on the type of the metal atoms. M[sbnd]M interactions are described as “intermediate interactions” with some covalence contribution which reaches maximum for the interactions between cobalt atoms. The obtained quantum-chemical data agree with those obtained from photoelectron spectroscopy measurements.
Библиографическая ссылка: Kozlova S.G. , Ryzhikov M.R. , Samsonenko D.G. , Kalinkin A.V.
Interatomic Interactions in M2(C8H4O4)2C6H12N2 (M = Zn, Cu, Co, Ni) Metal-Organic Framework Polymers: X-Ray Photoelectron Spectroscopy, QTAIM and ELF Study
Journal of Molecular Structure. 2017. V.150. P.268-273. DOI: 10.1016/j.molstruc.2017.08.077 WOS Scopus РИНЦ CAPlus OpenAlex
Даты:
Поступила в редакцию: 6 июл. 2017 г.
Принята к публикации: 22 авг. 2017 г.
Опубликована online: 30 авг. 2017 г.
Опубликована в печати: 15 дек. 2017 г.
Идентификаторы БД:
Web of science: WOS:000413387400029
Scopus: 2-s2.0-85028691692
РИНЦ: 31064407
Chemical Abstracts: 2017:1448507
OpenAlex: W2753211952
Цитирование в БД:
БД Цитирований
Web of science 12
Scopus 12
РИНЦ 11
OpenAlex 12
Альметрики: