Hi. Bloemink et al., IS THE GAS-PHASE COMPLEX OF AMMONIA AND CHLORINE MONOFLUORIDE H3N...CLF OR [H3NCL](- - EVIDENCE FROM ROTATIONAL SPECTROSCOPY()...F), Chemical physics letters, 248(3-4), 1996, pp. 260-268
Ground-state rotational spectra of the symmetric-topic isotopomers (H3
N)-N-14...(ClF)-Cl-35, (H3N)-N-14...(ClF)-Cl-37, (H3N)-N-15...(ClF)-Cl
-35 and (H3N)-N-15...(ClF)-Cl-37 of the ammonia-chlorine monofluoride
complex were observed with a fast-mixing nozzle/F-T microwave spectrom
eter combination. The determined spectroscopic constants B-O, D-J, D-J
K, chi(aa)(Cl), M(aa)(Cl) and Tr M(Cl) allow the conclusion that the c
omplex has a C-3v geometry with nuclei in the order H3N...ClF and a re
latively strong intermolecular bond (k(sigma)= 34.3(6) N m(-1)). Compa
rison of both chi(aa)(Cl) and k(sigma) for the series B...Cl-2 and B..
.ClF (B = CO, HCN and NH3) suggests a small contribution of the ionic
structure [H3NCl](+)...F- in the valence-bond description of H3N...ClF
.