Abstract
The crystal structure of two esters, both coupled bicyclo[1.1.0] butane derivatives, are found to have extremely short carbon-carbon central bonds (1.440-1.445 angstroms). The phenomena is tested by quantum mechanical methods since chemical experiments are not currently possible. Theoretical models employed were the minimum basis set (MBS), the standard double zeta(DZ), the double zeta plus d(DZ+d), the double zeta plus polarization(DZ+P), along with the self-consistent field method provide predictions for intra-cyclic bond lengths and angles including the central bond length.
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