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Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Photoelectron Spectroscopic Studies of Some Substituted Borotrans

JB Peel, RG Rothwell and DX Wang

Australian Journal of Chemistry 40(5) 803 - 809
Published: 1987

Abstract

The HeI photoelectron spectra of a series of borotrans have been measured. Ab initio molecular orbital calculations using minimum basis sets were performed on the six molecules in this study, by using geometries based on the known structure of the parent borotran, a tricyclic system containing a relatively short B←N dative bond. Temperatures up to 312º were required for the gas-phase measurements and considerable thermal decomposition was observed in two cases. The lowest-energy photoelectron bands are assigned to combinations of oxygen orbitals of the BO3 unit, but the B←N bonding electrons cannot be accurately located in the spectra.

https://doi.org/10.1071/CH9870803

© CSIRO 1987

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