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The Nature of Conformational Polymorphism in the Crystals of [Ph.sub.3]Sb([O.sub.2]CCH.sub.2--CH=CH.sub.2).sub.2.(Report)

Fukin, G. K. ; Baranov, E. V. ; Cherkasov, A. V. ; Rumyantsev, R. V.

Russian Journal of Coordination Chemistry, 2019, Vol.45(8), p.585(7) [Periódico revisado por pares]

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  • Título:
    The Nature of Conformational Polymorphism in the Crystals of [Ph.sub.3]Sb([O.sub.2]CCH.sub.2--CH=CH.sub.2).sub.2.(Report)
  • Autor: Fukin, G. K. ; Baranov, E. V. ; Cherkasov, A. V. ; Rumyantsev, R. V.
  • Assuntos: Thermodynamics – Analysis ; Polymorphism (Crystallography) – Analysis
  • É parte de: Russian Journal of Coordination Chemistry, 2019, Vol.45(8), p.585(7)
  • Descrição: Byline: G. K. Fukin (1), E. V. Baranov (1), A. V. Cherkasov (1), R. V. Rumyantsev (1) Keywords: triphenylantimony complex with vinylacetic acid; high-precision X-ray diffraction; conformational polymorphs; Bader's theory of atoms in molecules Abstract: Abstract Crystallization of the [Ph.sub.3]Sb([O.sub.2]CCH.sub.2-CH=CH.sub.2).sub.2 complex upon fast solvent (benzene) evaporation gives monoclinic crystals (I), whereas in the case of slow evaporation, triclinic crystals are formed (II). Also, monoclinic crystals are spontaneously transformed into triclinic crystals within 6 months. It was shown that the presence of voids near one carboxylate ligand in the monoclinic phase of [Ph.sub.3]Sb-([O.sub.2]CCH.sub.2-CH=CH.sub.2).sub.2 decreases the energy of intermolecular interactions and, as a consequence, leads to a conformational transition with a noticeable decrease in the crystal lattice energy. Thus, the presence of voids in the monoclinic phase crystal allows the formation of a thermodynamically more favorable conformation of the molecule in the crystal. Several structural models were determined for the [Ph.sub.3]Sb([O.sub.2]CCH.sub.2-CH=CH.sub.2).sub.2 complex (CIF files no. 1887561 (I .sub.IAM), model of non-interacting atoms 1887562 (I), multipole model 1887563 (II .sub.IAM), model of non-interacting atoms 1887564 (II), multipole model). Author Affiliation: (1) 0000 0004 0397 7925, grid.465286.b, Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, 603137, Nizhny Novgorod, Russia Article History: Registration Date: 02/08/2019 Received Date: 27/12/2018 Accepted Date: 14/03/2019 Online Date: 09/08/2019
  • Idioma: Inglês

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