STRUCTURE AND INTERNAL MOTION OF COMPLEXES OF NCCN WITH NCCN, $NH_{3}$, AND $H_{2}O$
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Date
1991
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Ohio State University
Abstract
Microwave and radiofrequency spectra have been obtained for the complexes of NCCN with itself, with $NH_{3}$ and with $H_{2}O$. All three systems are T--shaped with the heavy atoms in a $C_{2v}$ arrangement and all yield spectra perturbed by internal motion. The $NH_{3}$ subunit in $NH_{3} -NCCN$ exhibits nearly free internal rotation with respect to the NCCN framework, whereas the $H_{2}O$ subunit in $H_{2}O-NCCN$ has a moderate torsional barrier. In (NCCN)$_{2}$ the rotational spectrum appears to be perturbed by a low-frequency bending vibration, probably the vibration associated with the inversion tunnelling observed in $(HCCH)_{2}$. $NH_{3}-NCCN$ has a dipole moment of 1.06D with a 3.063{\AA} distance between the bonded nitrogen and the cyanogen center--of--mass. In $(NCCN)_{2}$ this distance is 3.142{\AA} and the dipole moment 0.420D
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Author Institution: Dept. of Chemistry, Harvard University