Research output: Contribution to journal › Article › peer-review
Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations : Structures, thermal stability and features of halogen⋯halogen contacts in solid state. / Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S. et al.
In: Inorganica Chimica Acta, Vol. 502, 119278, 01.03.2020.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations
T2 - Structures, thermal stability and features of halogen⋯halogen contacts in solid state
AU - Adonin, Sergey A.
AU - Bondarenko, Mikhail A.
AU - Novikov, Alexander S.
AU - Plyusnin, Pavel E.
AU - Korolkov, Ilya V.
AU - Sokolov, Maxim N.
AU - Fedin, Vladimir P.
PY - 2020/3/1
Y1 - 2020/3/1
N2 - Reactions of Sb2O3 solution in HBr in presence of Br2 with series of pyridinium-type cation salts resulted in formation of Cat[SbBr6] (Cat = 1,3,4-MePy+ (1) and 1,4-MePy+ (2)) and Cat2{[SbBr6](Br3)} (Cat = 1,2-MePy+ (3), 1-Et-2-MePy+ (4) and 1-Et-4-MePy+ (5)) complexes which were characterized by X-ray diffractometry. For all compounds, thermal stability was investigated by TGA method; energies of non-covalent Br⋯Br interactions were estimated by DFT calculations and QTAIM analysis (M06/DZP-DKH level of theory).
AB - Reactions of Sb2O3 solution in HBr in presence of Br2 with series of pyridinium-type cation salts resulted in formation of Cat[SbBr6] (Cat = 1,3,4-MePy+ (1) and 1,4-MePy+ (2)) and Cat2{[SbBr6](Br3)} (Cat = 1,2-MePy+ (3), 1-Et-2-MePy+ (4) and 1-Et-4-MePy+ (5)) complexes which were characterized by X-ray diffractometry. For all compounds, thermal stability was investigated by TGA method; energies of non-covalent Br⋯Br interactions were estimated by DFT calculations and QTAIM analysis (M06/DZP-DKH level of theory).
KW - Antimony
KW - Halide complexes
KW - Halogen bonding
KW - Polyhalogens
KW - Supramolecular contacts
KW - ANIONS
KW - INTERPLAY
KW - VAN
KW - CRYSTAL-STRUCTURE
KW - NONCOVALENT INTERACTIONS
KW - RADII
KW - LIQUID-BASED SYNTHESIS
KW - ZETA BASIS-SETS
UR - http://www.scopus.com/inward/record.url?scp=85075854928&partnerID=8YFLogxK
U2 - 10.1016/j.ica.2019.119278
DO - 10.1016/j.ica.2019.119278
M3 - Article
AN - SCOPUS:85075854928
VL - 502
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
SN - 0020-1693
M1 - 119278
ER -
ID: 22575461