π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine
The π charge distribution of borazine is obtained by an LCAO calculation, modifying slightly an approximation already applied to pyridine. A simple method is proposed for the comparison of the relation between the charge transfer as calculated in the NH and BH bonds with the experimental relation be...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00405744_v5_n5_p435_Giambiagi |
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todo:paper_00405744_v5_n5_p435_Giambiagi2023-10-03T14:50:59Z π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine Giambiagi, M. De Giambiagi, M.S. Silberman, E. The π charge distribution of borazine is obtained by an LCAO calculation, modifying slightly an approximation already applied to pyridine. A simple method is proposed for the comparison of the relation between the charge transfer as calculated in the NH and BH bonds with the experimental relation between the intensities of the corresponding absorption bands in the infrared spectrum. The influence of the π distribution over the σ skeleton must be considered in order to obtain a better agreement with experimental data. © 1966 Springer-Verlag. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00405744_v5_n5_p435_Giambiagi |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
The π charge distribution of borazine is obtained by an LCAO calculation, modifying slightly an approximation already applied to pyridine. A simple method is proposed for the comparison of the relation between the charge transfer as calculated in the NH and BH bonds with the experimental relation between the intensities of the corresponding absorption bands in the infrared spectrum. The influence of the π distribution over the σ skeleton must be considered in order to obtain a better agreement with experimental data. © 1966 Springer-Verlag. |
| format |
JOUR |
| author |
Giambiagi, M. De Giambiagi, M.S. Silberman, E. |
| spellingShingle |
Giambiagi, M. De Giambiagi, M.S. Silberman, E. π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine |
| author_facet |
Giambiagi, M. De Giambiagi, M.S. Silberman, E. |
| author_sort |
Giambiagi, M. |
| title |
π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine |
| title_short |
π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine |
| title_full |
π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine |
| title_fullStr |
π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine |
| title_full_unstemmed |
π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine |
| title_sort |
π electronic distribution, charge transfer and intensities of infrared absorption bands in borazine |
| url |
http://hdl.handle.net/20.500.12110/paper_00405744_v5_n5_p435_Giambiagi |
| work_keys_str_mv |
AT giambiagim pelectronicdistributionchargetransferandintensitiesofinfraredabsorptionbandsinborazine AT degiambiagims pelectronicdistributionchargetransferandintensitiesofinfraredabsorptionbandsinborazine AT silbermane pelectronicdistributionchargetransferandintensitiesofinfraredabsorptionbandsinborazine |
| _version_ |
1807316617092136960 |