Gas phase structure of diiodosilane SiH2I2

Autores
Ben Altabef, Aída; H. Oberhammer
Año de publicación
2002
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The molecular structure of diiodosilane has been determined by gas electron diffraction. Assuming C2v symmetry, only the S-I bond length (2.423(3) Å) and the I-Si-I bond angle (110.8(4)°) could be determined accurately in this experiment. The experimental geometric parameters and vibrational frequencies which were reported earlier are compared to calculated values derived with the HF approximation and DFT methods (B3LYP and SVWN) using 3-21G* basis sets and effective core potentials.
Fil: Ben Altabef, Aída. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química Física; Argentina
Fil: H. Oberhammer. Universität Tübingen; Alemania
Materia
Diiodosilane
Gas Electron Diffraction
Infrared Spectra
Quantum Chemical Calculations
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/62130
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/62130
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Gas phase structure of diiodosilane SiH2I2Ben Altabef, AídaH. OberhammerDiiodosilaneGas Electron DiffractionInfrared SpectraQuantum Chemical Calculationshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The molecular structure of diiodosilane has been determined by gas electron diffraction. Assuming C2v symmetry, only the S-I bond length (2.423(3) Å) and the I-Si-I bond angle (110.8(4)°) could be determined accurately in this experiment. The experimental geometric parameters and vibrational frequencies which were reported earlier are compared to calculated values derived with the HF approximation and DFT methods (B3LYP and SVWN) using 3-21G* basis sets and effective core potentials.Fil: Ben Altabef, Aída. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química Física; ArgentinaFil: H. Oberhammer. Universität Tübingen; AlemaniaElsevier Science2002-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/62130Ben Altabef, Aída; H. Oberhammer; Gas phase structure of diiodosilane SiH2I2; Elsevier Science; Journal of Molecular Structure; 641; 2-3; 11-2002; 259-2610022-2860CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/S0022-2860(02)00354-Xinfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S002228600200354Xinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-17T11:32:26Zoai:ri.conicet.gov.ar:11336/62130instacron: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:34982025-09-17 11:32:26.737CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Gas phase structure of diiodosilane SiH2I2
title Gas phase structure of diiodosilane SiH2I2
spellingShingle Gas phase structure of diiodosilane SiH2I2
Ben Altabef, Aída
Diiodosilane
Gas Electron Diffraction
Infrared Spectra
Quantum Chemical Calculations
title_short Gas phase structure of diiodosilane SiH2I2
title_full Gas phase structure of diiodosilane SiH2I2
title_fullStr Gas phase structure of diiodosilane SiH2I2
title_full_unstemmed Gas phase structure of diiodosilane SiH2I2
title_sort Gas phase structure of diiodosilane SiH2I2
dc.creator.none.fl_str_mv Ben Altabef, Aída
H. Oberhammer
author Ben Altabef, Aída
author_facet Ben Altabef, Aída
H. Oberhammer
author_role author
author2 H. Oberhammer
author2_role author
dc.subject.none.fl_str_mv Diiodosilane
Gas Electron Diffraction
Infrared Spectra
Quantum Chemical Calculations
topic Diiodosilane
Gas Electron Diffraction
Infrared Spectra
Quantum Chemical Calculations
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 molecular structure of diiodosilane has been determined by gas electron diffraction. Assuming C2v symmetry, only the S-I bond length (2.423(3) Å) and the I-Si-I bond angle (110.8(4)°) could be determined accurately in this experiment. The experimental geometric parameters and vibrational frequencies which were reported earlier are compared to calculated values derived with the HF approximation and DFT methods (B3LYP and SVWN) using 3-21G* basis sets and effective core potentials.
Fil: Ben Altabef, Aída. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química Física; Argentina
Fil: H. Oberhammer. Universität Tübingen; Alemania
description The molecular structure of diiodosilane has been determined by gas electron diffraction. Assuming C2v symmetry, only the S-I bond length (2.423(3) Å) and the I-Si-I bond angle (110.8(4)°) could be determined accurately in this experiment. The experimental geometric parameters and vibrational frequencies which were reported earlier are compared to calculated values derived with the HF approximation and DFT methods (B3LYP and SVWN) using 3-21G* basis sets and effective core potentials.
publishDate 2002
dc.date.none.fl_str_mv 2002-11
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/62130
Ben Altabef, Aída; H. Oberhammer; Gas phase structure of diiodosilane SiH2I2; Elsevier Science; Journal of Molecular Structure; 641; 2-3; 11-2002; 259-261
0022-2860
CONICET Digital
CONICET
url http://hdl.handle.net/11336/62130
identifier_str_mv Ben Altabef, Aída; H. Oberhammer; Gas phase structure of diiodosilane SiH2I2; Elsevier Science; Journal of Molecular Structure; 641; 2-3; 11-2002; 259-261
0022-2860
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/S0022-2860(02)00354-X
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S002228600200354X
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1843606684552921088
score 13.001348

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