Interatomic Interactions in M2(C8H4O4)2C6H12N2 (M = Zn, Cu, Co, Ni) Metal-Organic Framework Polymers: X-Ray Photoelectron Spectroscopy, QTAIM and ELF Study | Sciact - CRIS-system of Boreskov Institute of Catalysis

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

Journal

Journal of Molecular Structure
ISSN: 0022-2860

Output data

Year: 2017, Volume: 150, Pages: 268-273 Pages count : 6 DOI: 10.1016/j.molstruc.2017.08.077

Tags

Electron Localization Function, MOF, QTAIM, X-ray photoelectron spectra

Authors

Kozlova S.G. ^1,2,3 , Ryzhikov M.R. ^1,3 , Samsonenko D.G. ^1,3 , Kalinkin A.V. ⁴

Affiliations

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

Funding (1)

Russian Science Foundation

16-12-10016

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.

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 AN OpenAlex

Submitted:	Jul 6, 2017
Accepted:	Aug 22, 2017
Published online:	Aug 30, 2017
Published print:	Dec 15, 2017

Web of science:	WOS:000413387400029
Scopus:	2-s2.0-85028691692
Elibrary:	31064407
Chemical Abstracts:	2017:1448507
OpenAlex:	W2753211952

DB	Citing
Web of science	10
Scopus	10
Elibrary	10
OpenAlex	10