The rotational spectrum, 14N-nuclear quadrupole coupling constants, and H,19F nuclear spin–nuclear spin coupling constant of the cyanogen–hydrogen fluoride dimer

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Abstract
The microwave rotational spectra of four isotopic species of a linear dimer NCCN⋅⋅⋅HF formed between cyanogen and hydrogen fluoride have been observed and analyzed to give vibrational gound state rotational constants B0, centrifugal distortion constants DJ, the 14N‐nuclear quadrupole coupling constants χ(1) and χ(2), and the H, 19F nuclear spin–nuclear spin coupling constants SHF as follows: It is shown that χ(1)−χ(2), which is necessarily zero in free cyanogen, arises from electrical changes rather than zero‐point vibrational changes that accompany dimer formation. The part of this quantity assigned to polarization of cyanogen by hydrogen fluoride is interpreted on the basis of the Townes–Dailey model in terms of a transfer of ∼0.02e from N(1) to N(2) when HF approaches the latter atom along the molecular symmetry axis to form the dimer.

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