Chemical Physics Letters, Vol.444, No.1-3, 9-16, 2007
A three-dimensional morphed potential of Ne-HCl including the ground state deuterated Sigma bending vibration
The ground state submillimeter spectrum of the Sigma bending vibrations of Ne-20-(DCl)-Cl-35 and Ne-20-(DCl)-Cl-37 have been recorded in a coaxially-configured supersonic jet and band origin frequencies determined at 259.1348291(22) and 258.0180035(22) GHz, respectively. The recorded data were analyzed and included with other available experimental data to generate a fully three-dimensional morphed potential energy surface for the Ne-HCl potential having V-min(0 degrees) = -90.2(37) cm(-1), R-min(0 degrees) = 3.45(1) angstrom, and V-min(180 degrees) = -74.8(30) cm(-1), R-min(180 degrees) = 3.13(1) angstrom with a barrier height of 46.7(41) cm(-1). This morphed potential energy surface is compared with previously generated ab initio and semi-empirical potentials for Ne-HCl. (c) 2007 Elsevier B.V. All rights reserved.