Gas and crystal structures of CCl<SUB>2</SUB>FSCN

Dichlorofluoromethyl thiocyanate, CCl2FSCN, was structurally studied in the solid and in the gas phase by means of single-crystal X-ray (XRD) and gas electron diffraction (GED), respectively. In the gas phase the title molecule adopts two stable conformers, described by the FCeSC dihedral angle. The...

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Detalles Bibliográficos
Autores principales: Berrueta Martínez, Yanina, Rodríguez Pirani, Lucas Sebastián, Erben, Mauricio Federico, Boese, Roland, Reuter, Christian G., Vishnevskiy, Yury V., Mitzel, Norbert W., Della Védova, Carlos Omar
Formato: Articulo
Lenguaje:Inglés
Publicado: 2017
Materias:
Química
Dichlorofluoromethyl thiocyanate
Gas electron diffraction
X-ray diffraction
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/120244
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
Descripción
Sumario:Dichlorofluoromethyl thiocyanate, CCl2FSCN, was structurally studied in the solid and in the gas phase by means of single-crystal X-ray (XRD) and gas electron diffraction (GED), respectively. In the gas phase the title molecule adopts two stable conformers, described by the FCeSC dihedral angle. The gaucheconformer (FC bond with respect to the SC bond) is more stable than the anti-conformer. In this work we present the first experimental evidence for the existence of the anti-CF2ClSCN form. In the solid state only the most stable gauche-conformer was found. Intermolecular interactions were detected in the crystal structure and analyzed. A structural comparison of the results with those of related species as CCl2FSCN, CCl3SCN and CH2ClSCN is presented.

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