Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS
- Autores
- Ramos, Luis A.; Ulic, Sonia Elizabeth; Romano, Rosana Mariel; Beckers, Helmut; Willner, Helge; Della Védova, Carlos Omar
- Año de publicación
- 2014
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The vapor of acetyl isocyanide, CH3C(O)NCS, and trifluoroacetyl isocyanide, CF3C(O)NCS, were isolated in solid Ar at 15 K. The existence of rotational isomerism was confirmed when the matrixes were irradiated with broad-band UV−vis light (200 ≤ λ ≤ 800 nm) and also by temperaturedependent Ar-matrix IR spectroscopy. The initial spectra showed the vapor of CH3C(O)NCS and CF3C(O)NCS consist of two conformers syn−syn and syn−anti (with the CO bond syn with respect to the C−H or C−F bond and syn or anti with respect to the NC double bond). When CH3C(O)NCS is irradiated, simultaneously with the randomization process, H2CCO and HSCN are produced. In the case of the photolysis of CF3C(O)NCS, the main products are CF3NCS and CO. The assignment of the IR bands to the different photoproducts was made on the basis of the usual criteria, taking account reported antecedents in the literature.
Fil: Ramos, Luis A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Ulic, Sonia Elizabeth. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Beckers, Helmut. Bergische Universitat Wuppertal; Alemania
Fil: Willner, Helge. Bergische Universitat Wuppertal; Alemania
Fil: Della Védova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina - Materia
-
Matrix Isolation
Photochemistry
Ir Spectroscopy - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/24982
Ver los metadatos del registro completo
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Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCSRamos, Luis A.Ulic, Sonia ElizabethRomano, Rosana MarielBeckers, HelmutWillner, HelgeDella Védova, Carlos OmarMatrix IsolationPhotochemistryIr Spectroscopyhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The vapor of acetyl isocyanide, CH3C(O)NCS, and trifluoroacetyl isocyanide, CF3C(O)NCS, were isolated in solid Ar at 15 K. The existence of rotational isomerism was confirmed when the matrixes were irradiated with broad-band UV−vis light (200 ≤ λ ≤ 800 nm) and also by temperaturedependent Ar-matrix IR spectroscopy. The initial spectra showed the vapor of CH3C(O)NCS and CF3C(O)NCS consist of two conformers syn−syn and syn−anti (with the CO bond syn with respect to the C−H or C−F bond and syn or anti with respect to the NC double bond). When CH3C(O)NCS is irradiated, simultaneously with the randomization process, H2CCO and HSCN are produced. In the case of the photolysis of CF3C(O)NCS, the main products are CF3NCS and CO. The assignment of the IR bands to the different photoproducts was made on the basis of the usual criteria, taking account reported antecedents in the literature.Fil: Ramos, Luis A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Ulic, Sonia Elizabeth. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Beckers, Helmut. Bergische Universitat Wuppertal; AlemaniaFil: Willner, Helge. Bergische Universitat Wuppertal; AlemaniaFil: Della Védova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaAmerican Chemical Society2014-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/24982Ramos, Luis A.; Ulic, Sonia Elizabeth; Romano, Rosana Mariel; Beckers, Helmut; Willner, Helge; et al.; Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS; American Chemical Society; Journal of Physical Chemistry A; 118; 4; 1-2014; 697-7071089-5639CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp4110085info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp4110085info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:45:05Zoai:ri.conicet.gov.ar:11336/24982instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:45:05.424CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS |
| title |
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS |
| spellingShingle |
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS Ramos, Luis A. Matrix Isolation Photochemistry Ir Spectroscopy |
| title_short |
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS |
| title_full |
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS |
| title_fullStr |
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS |
| title_full_unstemmed |
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS |
| title_sort |
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS |
| dc.creator.none.fl_str_mv |
Ramos, Luis A. Ulic, Sonia Elizabeth Romano, Rosana Mariel Beckers, Helmut Willner, Helge Della Védova, Carlos Omar |
| author |
Ramos, Luis A. |
| author_facet |
Ramos, Luis A. Ulic, Sonia Elizabeth Romano, Rosana Mariel Beckers, Helmut Willner, Helge Della Védova, Carlos Omar |
| author_role |
author |
| author2 |
Ulic, Sonia Elizabeth Romano, Rosana Mariel Beckers, Helmut Willner, Helge Della Védova, Carlos Omar |
| author2_role |
author author author author author |
| dc.subject.none.fl_str_mv |
Matrix Isolation Photochemistry Ir Spectroscopy |
| topic |
Matrix Isolation Photochemistry Ir Spectroscopy |
| purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| dc.description.none.fl_txt_mv |
The vapor of acetyl isocyanide, CH3C(O)NCS, and trifluoroacetyl isocyanide, CF3C(O)NCS, were isolated in solid Ar at 15 K. The existence of rotational isomerism was confirmed when the matrixes were irradiated with broad-band UV−vis light (200 ≤ λ ≤ 800 nm) and also by temperaturedependent Ar-matrix IR spectroscopy. The initial spectra showed the vapor of CH3C(O)NCS and CF3C(O)NCS consist of two conformers syn−syn and syn−anti (with the CO bond syn with respect to the C−H or C−F bond and syn or anti with respect to the NC double bond). When CH3C(O)NCS is irradiated, simultaneously with the randomization process, H2CCO and HSCN are produced. In the case of the photolysis of CF3C(O)NCS, the main products are CF3NCS and CO. The assignment of the IR bands to the different photoproducts was made on the basis of the usual criteria, taking account reported antecedents in the literature. Fil: Ramos, Luis A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina Fil: Ulic, Sonia Elizabeth. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina Fil: Romano, Rosana Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina Fil: Beckers, Helmut. Bergische Universitat Wuppertal; Alemania Fil: Willner, Helge. Bergische Universitat Wuppertal; Alemania Fil: Della Védova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina |
| description |
The vapor of acetyl isocyanide, CH3C(O)NCS, and trifluoroacetyl isocyanide, CF3C(O)NCS, were isolated in solid Ar at 15 K. The existence of rotational isomerism was confirmed when the matrixes were irradiated with broad-band UV−vis light (200 ≤ λ ≤ 800 nm) and also by temperaturedependent Ar-matrix IR spectroscopy. The initial spectra showed the vapor of CH3C(O)NCS and CF3C(O)NCS consist of two conformers syn−syn and syn−anti (with the CO bond syn with respect to the C−H or C−F bond and syn or anti with respect to the NC double bond). When CH3C(O)NCS is irradiated, simultaneously with the randomization process, H2CCO and HSCN are produced. In the case of the photolysis of CF3C(O)NCS, the main products are CF3NCS and CO. The assignment of the IR bands to the different photoproducts was made on the basis of the usual criteria, taking account reported antecedents in the literature. |
| publishDate |
2014 |
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2014-01 |
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info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
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article |
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publishedVersion |
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http://hdl.handle.net/11336/24982 Ramos, Luis A.; Ulic, Sonia Elizabeth; Romano, Rosana Mariel; Beckers, Helmut; Willner, Helge; et al.; Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS; American Chemical Society; Journal of Physical Chemistry A; 118; 4; 1-2014; 697-707 1089-5639 CONICET Digital CONICET |
| url |
http://hdl.handle.net/11336/24982 |
| identifier_str_mv |
Ramos, Luis A.; Ulic, Sonia Elizabeth; Romano, Rosana Mariel; Beckers, Helmut; Willner, Helge; et al.; Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS; American Chemical Society; Journal of Physical Chemistry A; 118; 4; 1-2014; 697-707 1089-5639 CONICET Digital CONICET |
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eng |
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eng |
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American Chemical Society |
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