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Abstract:

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.

Registro:

Documento: Artículo
Título:π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine
Autor:Giambiagi, M.; De Giambiagi, M.S.; Silberman, E.
Filiación:Dpto. de Física, Facultad de Ingeniería, Paseo Colón 850, Buenos Aires, Argentina
Dpto. de Física, Facultad de Ciencias Exactas, Perú 222, Buenos Aires, Argentina
Año:1966
Volumen:5
Número:5
Página de inicio:435
Página de fin:439
DOI: http://dx.doi.org/10.1007/BF00527046
Título revista:Theoretica Chimica Acta
Título revista abreviado:Theoret. Chim. Acta
ISSN:00405744
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00405744_v5_n5_p435_Giambiagi

Citas:

---------- APA ----------
Giambiagi, M., De Giambiagi, M.S. & Silberman, E. (1966) . π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine. Theoretica Chimica Acta, 5(5), 435-439.
http://dx.doi.org/10.1007/BF00527046
---------- CHICAGO ----------
Giambiagi, M., De Giambiagi, M.S., Silberman, E. "π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine" . Theoretica Chimica Acta 5, no. 5 (1966) : 435-439.
http://dx.doi.org/10.1007/BF00527046
---------- MLA ----------
Giambiagi, M., De Giambiagi, M.S., Silberman, E. "π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine" . Theoretica Chimica Acta, vol. 5, no. 5, 1966, pp. 435-439.
http://dx.doi.org/10.1007/BF00527046
---------- VANCOUVER ----------
Giambiagi, M., De Giambiagi, M.S., Silberman, E. π Electronic distribution, charge transfer and intensities of infrared absorption bands in borazine. Theoret. Chim. Acta. 1966;5(5):435-439.
http://dx.doi.org/10.1007/BF00527046