The microwave rotational spectrum, molecular geometry, 14N nuclear quadrupole coupling constants, and H, 19F nuclear spin–nuclear spin coupling constant of the nitrogen–hydrogen fluoride dimer

Abstract

The microwave rotational spectrum of each of four isotopic species of a weakly bound dimer formed between molecular nitrogen and hydrogen fluoride has been detected and assigned, thus allowing unambiguous identification of this new complex. The following spectroscopic constants have been determined through analyses of the spectra: An interpretation of these constants leads to the conclusion that the dimer is linear with the weak binding through a hydrogen bond to one of the nitrogen atoms. The difference in the two 14N nuclear quadrupole coupling constants has been shown on the basis of a simple model to require that ∼0.03e is transferred from the unbound to the weakly bound nitrogen atom when HF achieves its equilibrium position in the dimer.