Volume 114, Issue 11, 15 March 2001
Index of content:
114(2001); http://dx.doi.org/10.1063/1.1354144View Description Hide Description
We report the first production of the molecule HXeI, which is bound by ionic forces, in the gas phase. The molecule is generated by the photodissociation of HI molecules on a large cluster and is identified by detecting the asymmetric distribution of the H atom fragments of the oriented HXeI. The orientation is achieved in a combined pulsed laser and weak electrostatic field making use of the large anisotropy in the polarizability and the large dipole moment of this molecule.
114(2001); http://dx.doi.org/10.1063/1.1354145View Description Hide Description
We report dynamics on two interpolated global potential energy surfaces (PES) for the reaction. The first PES is based on both and MRCI/aug-cc-pVTZ ab initio calculations. In the second version, the energies at the interpolation data points are improved to the UCCSD(T)/aug-cc-pVQZ level. Fully converged integral cross sections were calculated on these two PESs for the title reaction for the ground rovibrational and two rotationally excited initial states. Good agreement between theory and experiment for rate coefficients for temperatures up to 1050 K are only achieved on the second PES.