Interatomic interactions in M2(C8H4O4)2C6H12N2 (M = Zn, Cu, Co, Ni) metal-organic framework polymers: X-ray photoelectron spectroscopy, QTAIM and ELF study

Результат исследования: Научные публикации в периодических изданияхстатьярецензирование

5 Цитирования (Scopus)

Аннотация

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.

Язык оригиналаанглийский
Страницы (с-по)268-273
Число страниц6
ЖурналJournal of Molecular Structure
Том1150
DOI
СостояниеОпубликовано - 15 дек 2017

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