Ethane Internal Rotation -Vibrational Hamiltonian
One of the main purposes of a theoretical spectroscopist is topropose a model to reproduce the xperimental spectra available in theliterature as accurate and with as much physical information as possible.In this case it has been studied the Far infrared an Infrared spectraof non-rigid molecules, int...
| Autores: | , , , |
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| Tipo de documento: | artigo |
| Estado: | Versão publicada |
| Data de publicação: | 2008 |
| País: | México |
| Recursos: | Universidad Autónoma Metropolitana |
| Repositório: | Redalyc-UAM |
| OAI Identifier: | oai:redalyc.org:47552115 |
| Acesso em linha: | https://www.redalyc.org/articulo.oa?id=47552115 |
| Access Level: | Acceso aberto |
| Palavra-chave: | Química FIR Ethane ab initio IR Spectrum |
| Resumo: | One of the main purposes of a theoretical spectroscopist is topropose a model to reproduce the xperimental spectra available in theliterature as accurate and with as much physical information as possible.In this case it has been studied the Far infrared an Infrared spectraof non-rigid molecules, introducing in the Vibrational Potential theirdependence on the large amplitude variables. The molecule that hasbeen selected to test our proposed Hamiltonian is ethane which is avery well studied molecule. The molecule is a non-rigid molecule andtheir experimental spectra have been reported in the literature. |
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