Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Unusual molecular complexes of antimony fluoride dimers with acetonitrile and pyridine : structures and bonding. / Davydova, Elena I.; Virovets, Alexander; Peresypkina, Eugenia; Pomogaeva, Anna V.; Lisovenko, Anna S.; Timoshkin, Alexey Y.
в: Dalton Transactions, Том 50, № 38, 05.10.2021, стр. 13357-13367.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Unusual molecular complexes of antimony fluoride dimers with acetonitrile and pyridine
T2 - structures and bonding
AU - Davydova, Elena I.
AU - Virovets, Alexander
AU - Peresypkina, Eugenia
AU - Pomogaeva, Anna V.
AU - Lisovenko, Anna S.
AU - Timoshkin, Alexey Y.
N1 - Publisher Copyright: © The Royal Society of Chemistry 2021.
PY - 2021/10/5
Y1 - 2021/10/5
N2 - The structures of two new molecular complexes of antimony pentafluoride with pyridine (Py) and acetonitrile (AN), SbF5·Py and Sb2F10·AN, and a molecular complex of antimony trifluoride Sb2F6·Py and its ionic derivative [HPy]+[Sb2F7]−in the solid state have been determined by single crystal X-ray structural analysis. The complexes Sb2F10·AN and Sb2F6·Py are the first structurally characterized compounds of dimeric antimony fluorides. To reveal the nature of bonding in the complexes and their stability, DFT computations of the electronic structure and thermodynamic characteristics were performed, in particular the analysis of the electrostatic potentials, the orbital interactions and the topology. The results indicate that the intermolecular Sb⋯F interactions can be described as a network of pnictogen bonds.
AB - The structures of two new molecular complexes of antimony pentafluoride with pyridine (Py) and acetonitrile (AN), SbF5·Py and Sb2F10·AN, and a molecular complex of antimony trifluoride Sb2F6·Py and its ionic derivative [HPy]+[Sb2F7]−in the solid state have been determined by single crystal X-ray structural analysis. The complexes Sb2F10·AN and Sb2F6·Py are the first structurally characterized compounds of dimeric antimony fluorides. To reveal the nature of bonding in the complexes and their stability, DFT computations of the electronic structure and thermodynamic characteristics were performed, in particular the analysis of the electrostatic potentials, the orbital interactions and the topology. The results indicate that the intermolecular Sb⋯F interactions can be described as a network of pnictogen bonds.
KW - CRYSTAL-STRUCTURE
KW - PNICOGEN BONDS
KW - SPECTRA
KW - F-19
KW - PENTAFLUORIDE
KW - REACTIVITY
KW - DENSITY
UR - http://www.scopus.com/inward/record.url?scp=85116656944&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/02deece8-5c0f-3db6-85d3-171753e304d2/
U2 - 10.1039/d1dt02412d
DO - 10.1039/d1dt02412d
M3 - Article
AN - SCOPUS:85116656944
VL - 50
SP - 13357
EP - 13367
JO - Dalton Transactions
JF - Dalton Transactions
SN - 1477-9226
IS - 38
ER -
ID: 87558440