Springer Online Journal Archives 1860-2000
Chemistry and Pharmacology
Abstract Primarily exploratory calculations, using CN/INDO methods, into the influence of hyperconjugation on molecular properties of borane adducts are presented. Discussion centers around the molecule BH3CO. While the theoretical methods are relatively crude, useful generalizations emerge which suggest the need for treatment by less approximate methods and/or suggest what experiments are likely to yield information about the concept of hyperconjugation. The properties discussed are structure, energy, nuclear spin-spin coupling, nuclear quadrupole coupling, photo-electron spectra, and infrared band intensities.
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