An analysis of the magnetic hyperfine interactions in the microwave spectrum of NO-HF: Evidence of electron transfer

摘要

One hundred and fifty-six magetic hyperfine transitions belonging to four rotational transitions of the NO-HF complex have been observed using a Fourier transform microwave spectrometer. The magnetic hyperine structure shows interactions due to the nitrogen, hydrogen, and fluorine nuclei. Analysis of both the fine and hyperfine structure gives a bent geometry with an a axis-NO angle of about 44 deg and indictes a strong stabilzation of the in plane NO #pi#~* orbital with respect to the out of plane orbital. The Fermi contact interactions at the H and F nuclei have the opposite sign and comparison with ab initio calculations suggests assigning the larger positive interaction to the F nucleus. The results reveal details of the distorations of the electronic structure of the partners in the complex caused by the hydrogen bond.