Analysis of the structure and vibrational spectra of glucose and fructose
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| Format: | Artículo científico |
| Langue: | en |
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Universidade Estadual Paulista Júlio de Mesquita Filho
2006
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| _version_ | 1876439416170348544 |
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| author | Medhat Ibrahim |
| author_facet | Medhat Ibrahim |
| contents | Analysis of the structure and vibrational spectra of glucose and fructose Medhat Ibrahim Moussa Alaam Hanan El-Haes Aned de Leon Abraham F. Jalbout Química FTIR α anomer glucose fructose Molecular modelling using semiempirical methods AM1, PM3, PM5 and, MINDO as wellas the Density Functional Theory method BLYP/DZVP respectively were used to calculate the structureand vibrational spectra of d-glucose and d-fructose in their open chain, α-anomer and β-anomermonohydrate forms. The calculated data show that both molecules are not linear; ground state and thenumber for the point-group C is equal to 1. Generally, the results indicate that there are similarities inbond lengths and vibrational modes of both molecules. It is concluded that DFT could be used to studyboth the structural and vibrational spectra of glucose and fructose. 2006 artículo científico 0100-4670 https://www.redalyc.org/articulo.oa?id=42931302 en http://www.redalyc.org/revista.oa?id=429 Eclética Química application/pdf Universidade Estadual Paulista Júlio de Mesquita Filho Eclética Química (Brasil) Num.3 Vol.31 |
| format | Artículo científico |
| id | redalyc_42931302 |
| institution | Redalyc |
| language | en |
| publishDate | 2006 |
| publisher | Universidade Estadual Paulista Júlio de Mesquita Filho |
| spellingShingle | Analysis of the structure and vibrational spectra of glucose and fructose Medhat Ibrahim Química FTIR α anomer glucose fructose Analysis of the structure and vibrational spectra of glucose and fructose Medhat Ibrahim Moussa Alaam Hanan El-Haes Aned de Leon Abraham F. Jalbout Química FTIR α anomer glucose fructose Molecular modelling using semiempirical methods AM1, PM3, PM5 and, MINDO as wellas the Density Functional Theory method BLYP/DZVP respectively were used to calculate the structureand vibrational spectra of d-glucose and d-fructose in their open chain, α-anomer and β-anomermonohydrate forms. The calculated data show that both molecules are not linear; ground state and thenumber for the point-group C is equal to 1. Generally, the results indicate that there are similarities inbond lengths and vibrational modes of both molecules. It is concluded that DFT could be used to studyboth the structural and vibrational spectra of glucose and fructose. 2006 artículo científico 0100-4670 https://www.redalyc.org/articulo.oa?id=42931302 en http://www.redalyc.org/revista.oa?id=429 Eclética Química application/pdf Universidade Estadual Paulista Júlio de Mesquita Filho Eclética Química (Brasil) Num.3 Vol.31 |
| title | Analysis of the structure and vibrational spectra of glucose and fructose |
| topic | Química FTIR α anomer glucose fructose |
| url | https://www.redalyc.org/articulo.oa?id=42931302 |