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

id	I19-R120-10915-120244
record_format	dspace
institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Química Dichlorofluoromethyl thiocyanate Gas electron diffraction X-ray diffraction
spellingShingle	Química Dichlorofluoromethyl thiocyanate Gas electron diffraction X-ray diffraction 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 Gas and crystal structures of CCl<SUB>2</SUB>FSCN
topic_facet	Química Dichlorofluoromethyl thiocyanate Gas electron diffraction X-ray diffraction
description	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.
format	Articulo Articulo
author	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
author_facet	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
author_sort	Berrueta Martínez, Yanina
title	Gas and crystal structures of CCl<SUB>2</SUB>FSCN
title_short	Gas and crystal structures of CCl<SUB>2</SUB>FSCN
title_full	Gas and crystal structures of CCl<SUB>2</SUB>FSCN
title_fullStr	Gas and crystal structures of CCl<SUB>2</SUB>FSCN
title_full_unstemmed	Gas and crystal structures of CCl<SUB>2</SUB>FSCN
title_sort	gas and crystal structures of ccl<sub>2</sub>fscn
publishDate	2017
url	http://sedici.unlp.edu.ar/handle/10915/120244
work_keys_str_mv	AT berruetamartinezyanina gasandcrystalstructuresofcclsub2subfscn AT rodriguezpiranilucassebastian gasandcrystalstructuresofcclsub2subfscn AT erbenmauriciofederico gasandcrystalstructuresofcclsub2subfscn AT boeseroland gasandcrystalstructuresofcclsub2subfscn AT reuterchristiang gasandcrystalstructuresofcclsub2subfscn AT vishnevskiyyuryv gasandcrystalstructuresofcclsub2subfscn AT mitzelnorbertw gasandcrystalstructuresofcclsub2subfscn AT dellavedovacarlosomar gasandcrystalstructuresofcclsub2subfscn
bdutipo_str	Repositorios
_version_	1764820449580023811

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

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