A three-dimensional morphed potential of NeHCl including the ground state deuterated bending vibration Academic Article uri icon

abstract

  • The ground state submillimeter spectrum of the bending vibrations of 20Ne-D35Cl and 20Ne-D37Cl 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 Vmin(0) = -90.2(37) cm-1, Rmin(0) = 3.45(1) , and Vmin(180) = -74.8(30) cm-1, Rmin(180) = 3.13(1) 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. 2007 Elsevier B.V. All rights reserved.

published proceedings

  • Chemical Physics Letters

author list (cited authors)

  • Rivera-Rivera, L. A., McElmurry, B. A., Belov, S. P., Lucchese, R. R., & Bevan, J. W.

publication date

  • January 1, 2007 11:11 AM