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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. / Kozlova, S. G.; Ryzhikov, M. R.; Samsonenko, D. G. et al.

In: Journal of Molecular Structure, Vol. 1150, 15.12.2017, p. 268-273.

Research output: Contribution to journal › Article › peer-review

Harvard

Kozlova, SG, Ryzhikov, MR, Samsonenko, DG & Kalinkin, AV 2017, '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, vol. 1150, pp. 268-273. https://doi.org/10.1016/j.molstruc.2017.08.077

APA

Kozlova, S. G., Ryzhikov, M. R., Samsonenko, D. G., & Kalinkin, A. V. (2017). 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, 1150, 268-273. https://doi.org/10.1016/j.molstruc.2017.08.077

Vancouver

Kozlova SG, Ryzhikov MR, Samsonenko DG, Kalinkin AV. 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 Dec 15;1150:268-273. doi: 10.1016/j.molstruc.2017.08.077

Author

Kozlova, S. G. ; Ryzhikov, M. R. ; Samsonenko, D. G. et al. / Interatomic interactions in M2(C8H4O4)2C6H12N2 (M = Zn, Cu, Co, Ni) metal-organic framework polymers : X-ray photoelectron spectroscopy, QTAIM and ELF study. In: Journal of Molecular Structure. 2017 ; Vol. 1150. pp. 268-273.

BibTeX

@article{cc244acf56c647f0a464eb9a49567156,
title = "Interatomic interactions in M2(C8H4O4)2C6H12N2 (M = Zn, Cu, Co, Ni) metal-organic framework polymers: X-ray photoelectron spectroscopy, QTAIM and ELF study",
abstract = "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.",
keywords = "Electron Localization Function, MOF, QTAIM, X-ray photoelectron spectra, DESIGN, ENERGY, COORDINATION POLYMER, APPROXIMATION, PHASE-TRANSITIONS, COPPER, ELECTRON LOCALIZATION, INTEGRATION, EXCHANGE",
author = "Kozlova, {S. G.} and Ryzhikov, {M. R.} and Samsonenko, {D. G.} and Kalinkin, {A. V.}",
note = "Publisher Copyright: {\textcopyright} 2017 Elsevier B.V.",
year = "2017",
month = dec,
day = "15",
doi = "10.1016/j.molstruc.2017.08.077",
language = "English",
volume = "1150",
pages = "268--273",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Interatomic interactions in M2(C8H4O4)2C6H12N2 (M = Zn, Cu, Co, Ni) metal-organic framework polymers

T2 - X-ray photoelectron spectroscopy, QTAIM and ELF study

AU - Kozlova, S. G.

AU - Ryzhikov, M. R.

AU - Samsonenko, D. G.

AU - Kalinkin, A. V.

N1 - Publisher Copyright: © 2017 Elsevier B.V.

PY - 2017/12/15

Y1 - 2017/12/15

N2 - 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.

AB - 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.

KW - Electron Localization Function

KW - MOF

KW - QTAIM

KW - X-ray photoelectron spectra

KW - DESIGN

KW - ENERGY

KW - COORDINATION POLYMER

KW - APPROXIMATION

KW - PHASE-TRANSITIONS

KW - COPPER

KW - ELECTRON LOCALIZATION

KW - INTEGRATION

KW - EXCHANGE

UR - http://www.scopus.com/inward/record.url?scp=85028691692&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2017.08.077

DO - 10.1016/j.molstruc.2017.08.077

M3 - Article

AN - SCOPUS:85028691692

VL - 1150

SP - 268

EP - 273

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -

ID: 9400622