K. Hinds et Ac. Legon, THE GEOMETRY AND INTERMOLECULAR BINDING OF HCN...BRCL PROBED BY ROTATIONAL SPECTROSCOPY, Chemical physics letters, 240(5-6), 1995, pp. 467-473
Ground-state rotational spectra of several isotopomers of a linear com
plex formed between HCN and BrCl were observed by pulsed-nozzle, F-T m
icrowave spectroscopy and analysed to give the spectroscopic constants
B-0, D-J, chi(Br), chi(Cl), and M(bb)(Br). The order HCN...BrCl of th
e nuclei was established from the changes in the B-0 values on isotopi
c substitution. The small fractional electronic charge (delta = 0.05)
transferred from Br to Cl on complex formation and the intermolecular
stretching force constant (k(sigma) approximate to 11 N m(-1)) estimat
ed from the spectroscopic constants indicates a weak interaction of HC
N and BrCl, with little perturbation of the charge distribution of BrC
l.