INVESTIGADORES
DELLA VEDOVA Carlos Omar
artículos
Título:
Gas and crystal structures of CCl2FSCN
Autor/es:
MARTÍNEZ, YANINA BERRUETA; RODRÍGUEZ PIRANI, LUCAS S.; ERBEN, MAURICIO F.; BOESE, ROLAND; REUTER, CHRISTIAN G.; VISHNEVSKIY, YURY V.; MITZEL, NORBERT W.; DELLA VÉDOVA, CARLOS O.
Revista:
JOURNAL OF MOLECULAR STRUCTURE
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2017 vol. 1132 p. 175 - 180
ISSN:
0022-2860
Resumen:
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 FC–SC dihedral angle. The gauche-conformer (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.
