<div class="csl-bib-body">
<div class="csl-entry">Prokudina, Y. V., Davydova, E. I., Virovets, A., Stöger, B., Peresypkina, E., Pomogaeva, A. V., & Timoshkin, A. Y. (2020). Structures and Chemical Bonding in Antimony(III) Bromide Complexes with Pyridine. <i>Chemistry - A European Journal</i>, <i>26</i>(69), 16338–16348. https://doi.org/10.1002/chem.202002261</div>
</div>
-
dc.identifier.issn
0947-6539
-
dc.identifier.uri
http://hdl.handle.net/20.500.12708/141110
-
dc.description.abstract
Weakly or "partially" bonded molecules are an important link between the chemical and van der Waals interactions. Molecular structures of six new SbBr3-Py complexes in the solid state have been determined by single-crystal X-ray diffraction analysis. In all complexes all Sb atoms adopt a pseudo-octahedral coordination geometry which is completed by additional Sb···Br contacts shorter than the sum of the van der Waals radii, with Br---Sb···Br angles close to 180°. To reveal the nature of Sb-Br and Sb-N interactions, the DFT calculations were performed followed by the analysis of the electrostatic potentials, the orbital interactions and the topological analysis. Based on Natural Bond Orbital (NBO) analysis, the Sb-Br interactions range from the covalent bonds to the pnictogen bonds. A simple structural parameter, non-covalence criterion (NCC) is defined as a ratio of the atom-atom distance to the linear combination of sums of covalent and van der Waals radii. NCC correlates with E(2) values for Sb---N, Sb---Cl and Sb---Br bonds, and appears to be useful criterion for a preliminary evaluation of the bonding situation.
en
dc.language.iso
en
-
dc.publisher
WILEY-V C H VERLAG GMBH
-
dc.relation.ispartof
Chemistry - A European Journal
-
dc.subject
structural analysis
-
dc.subject
General Chemistry
-
dc.subject
Catalysis
-
dc.subject
Organic Chemistry
-
dc.subject
antimony(III) complexes
-
dc.subject
DFT computations
-
dc.subject
electronic structure
-
dc.subject
pnictogen bonds
-
dc.title
Structures and Chemical Bonding in Antimony(III) Bromide Complexes with Pyridine