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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Detalles Bibliográficos
Publicado: 1966
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00405744_v5_n5_p435_Giambiagi
http://hdl.handle.net/20.500.12110/paper_00405744_v5_n5_p435_Giambiagi
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_00405744_v5_n5_p435_Giambiagi
record_format dspace
spelling paper:paper_00405744_v5_n5_p435_Giambiagi2023-06-08T15:04:31Z 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 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. 1966 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00405744_v5_n5_p435_Giambiagi 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.
title π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine
spellingShingle 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
publishDate 1966
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00405744_v5_n5_p435_Giambiagi
http://hdl.handle.net/20.500.12110/paper_00405744_v5_n5_p435_Giambiagi
_version_ 1768541930518478848

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