Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds
- Autores
- Rendtorff Birrer, Nicolás Maximiliano; Castro, Eduardo Alberto
- Año de publicación
- 2003
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The results of a theoretical study on the structure of some diborane(4) compounds are presented in order to analyze the ralative stabilities of the 1,1- and 1,2-isomers. Using the molecular mechanics method, characteristic distances and angles have been calculated and compared with available experimental data. In order to rationalize the results, different energy components are discussed in a comparative fashion. A fairly satisfactory agreement between the theoretical and experimental data have been found. Some possible extensions are pointed out to complement this kind of analysis.
Centro de Química Inorgánica - Materia
-
Ciencias Exactas
Química
Experimental Data
Molecular Mechanic
Mechanics Study
Satisfactory Agreement
Mechanic Method - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-sa/4.0/
- Repositorio
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/135010
Ver los metadatos del registro completo
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Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) CompoundsRendtorff Birrer, Nicolás MaximilianoCastro, Eduardo AlbertoCiencias ExactasQuímicaExperimental DataMolecular MechanicMechanics StudySatisfactory AgreementMechanic MethodThe results of a theoretical study on the structure of some diborane(4) compounds are presented in order to analyze the ralative stabilities of the 1,1- and 1,2-isomers. Using the molecular mechanics method, characteristic distances and angles have been calculated and compared with available experimental data. In order to rationalize the results, different energy components are discussed in a comparative fashion. A fairly satisfactory agreement between the theoretical and experimental data have been found. Some possible extensions are pointed out to complement this kind of analysis.Centro de Química Inorgánica2003-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf1881-1883http://sedici.unlp.edu.ar/handle/10915/135010enginfo:eu-repo/semantics/altIdentifier/issn/1070-3632info:eu-repo/semantics/altIdentifier/issn/1608-3350info:eu-repo/semantics/altIdentifier/doi/10.1023/b:rugc.0000025147.79353.c1info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:31:57Zoai:sedici.unlp.edu.ar:10915/135010Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:31:57.323SEDICI (UNLP) - Universidad Nacional de La Platafalse |
dc.title.none.fl_str_mv |
Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds |
title |
Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds |
spellingShingle |
Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds Rendtorff Birrer, Nicolás Maximiliano Ciencias Exactas Química Experimental Data Molecular Mechanic Mechanics Study Satisfactory Agreement Mechanic Method |
title_short |
Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds |
title_full |
Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds |
title_fullStr |
Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds |
title_full_unstemmed |
Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds |
title_sort |
Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds |
dc.creator.none.fl_str_mv |
Rendtorff Birrer, Nicolás Maximiliano Castro, Eduardo Alberto |
author |
Rendtorff Birrer, Nicolás Maximiliano |
author_facet |
Rendtorff Birrer, Nicolás Maximiliano Castro, Eduardo Alberto |
author_role |
author |
author2 |
Castro, Eduardo Alberto |
author2_role |
author |
dc.subject.none.fl_str_mv |
Ciencias Exactas Química Experimental Data Molecular Mechanic Mechanics Study Satisfactory Agreement Mechanic Method |
topic |
Ciencias Exactas Química Experimental Data Molecular Mechanic Mechanics Study Satisfactory Agreement Mechanic Method |
dc.description.none.fl_txt_mv |
The results of a theoretical study on the structure of some diborane(4) compounds are presented in order to analyze the ralative stabilities of the 1,1- and 1,2-isomers. Using the molecular mechanics method, characteristic distances and angles have been calculated and compared with available experimental data. In order to rationalize the results, different energy components are discussed in a comparative fashion. A fairly satisfactory agreement between the theoretical and experimental data have been found. Some possible extensions are pointed out to complement this kind of analysis. Centro de Química Inorgánica |
description |
The results of a theoretical study on the structure of some diborane(4) compounds are presented in order to analyze the ralative stabilities of the 1,1- and 1,2-isomers. Using the molecular mechanics method, characteristic distances and angles have been calculated and compared with available experimental data. In order to rationalize the results, different energy components are discussed in a comparative fashion. A fairly satisfactory agreement between the theoretical and experimental data have been found. Some possible extensions are pointed out to complement this kind of analysis. |
publishDate |
2003 |
dc.date.none.fl_str_mv |
2003-12 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo 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://sedici.unlp.edu.ar/handle/10915/135010 |
url |
http://sedici.unlp.edu.ar/handle/10915/135010 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/issn/1070-3632 info:eu-repo/semantics/altIdentifier/issn/1608-3350 info:eu-repo/semantics/altIdentifier/doi/10.1023/b:rugc.0000025147.79353.c1 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
dc.format.none.fl_str_mv |
application/pdf 1881-1883 |
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