Title of article :
A three-dimensional morphed potential of Ne–HCl including the ground state deuterated Σ bending vibration
Author/Authors :
Rivera-Rivera، نويسنده , , Luis A. and McElmurry، نويسنده , , Blake A. and Belov، نويسنده , , Sergey P. and Lucchese، نويسنده , , Robert R. and Bevan، نويسنده , , John W.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Pages :
8
From page :
9
To page :
16
Abstract :
The ground state submillimeter spectrum of the Σ 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) Å, and Vmin(180°) = −74.8(30) cm−1, Rmin(180°) = 3.13(1) Å 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.
Journal title :
Chemical Physics Letters
Serial Year :
2007
Journal title :
Chemical Physics Letters
Record number :
1922414
Link To Document :
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