Abstract
Bent bond and Walsh models for the electronic structure of the highly strained bicyclo(1.1.0)butane were critically examined and compared with the available PE spectrum. It is found that the bent bond scheme is by far more superior to the widely used Walsh semilocalized molecular orbitals. Hence the local hybrid orbitals provide a useful aid in assigning and interpreting of PE spectra. Present results lend support to the hybrid model in bicyclo(1.1.0)butane proposed by Schulman.
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