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The nature of interactions of benzene with CF3I and CF3CH2I.
Bujak, Maciej; Stammler, Hans-Georg; Blomeyer, Sebastian; Mitzel, Norbert W.
Afiliación
  • Bujak M; Faculty of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland. mbujak@uni.opole.pl.
Chem Commun (Camb) ; 55(2): 175-178, 2018 Dec 20.
Article en En | MEDLINE | ID: mdl-30519685
In situ grown crystals of CF3I and CF3CH2I are dominated by II and FF interactions. Their co-crystals with benzene, (CF3I)2·C6H6 and CF3CH2I·C6H6, contain two completely different sets of intermolecular interactions. (CF3I)2·C6H6 shows a unique halogen-bond type: above-the-bond C-IπC6H6 interactions. CF3CH2I·C6H6 shows above-the-centre C-HπC6H6 interactions. These interactions are electrostatically dominated type II halogen bonds between single halogenoalkane molecules and weaker dispersion dominated interactions between the co-crystal components. The observed preferences for benzene for the two binding partners match with calculated molecular electrostatic potentials.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Commun (Camb) Asunto de la revista: QUIMICA Año: 2018 Tipo del documento: Article País de afiliación: Polonia Pais de publicación: Reino Unido

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Commun (Camb) Asunto de la revista: QUIMICA Año: 2018 Tipo del documento: Article País de afiliación: Polonia Pais de publicación: Reino Unido