Abstract

To what extent can the structural parameters of a molecule be altered by the surrounding medium? According to model calculations in a polar solvent continuum, the BN bond length in H3B. NH3 in aqueous solution is indicated to be shortened by ca. 0.1 Å over the value in the gas phase (1.672 Å, microwave), i.e. to nearly the BN separation in the solidstate (1.564 Å, X‐ray). Similar calculations with the solvent hexane gave a value of 1.62 Å.

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