Geometric and electric properties of the donor–acceptor complex H3N–BF3

Abstract

Shrinkage corrections of the microwave structures of H₃NBF₃ isotopomers resolve an apparent discrepancy between experimental and theoretical values of the NB bond length; ab initio¹⁰B, ¹¹B and ¹⁴N nuclear quadrupole coupling constants are in qualitative agreement with experiment, confirming the earlier microwave characterisation of this donor–acceptor adduct and providing a physical picture of dative bond formation.