Vibrational relaxation of xenon bromide (XeBr)(B) by argon

Abstract

vestigate the interaction of H20 with most different types of silica, e.g. the hydrophilic properties of hydroxylated surfaces and hydrophobicity of microporous silica.5,6 This was our primary aim.In course of this work we learned something about fitting quantum chemical interaction energies by analytical potentials, in particular of EPEN/2 type. First of all, it proves advantageous to determine the point charge models independently by fitting molecular multipole moments and electrostatic potentials. Detailed comparison of potential surfaces obtained directly by means of quantum chemical calculations and from QPEN functions revealed a systematic failure of the EPEN/2 functional form which may lead to erroneous minimum structures and may be connected with energy errors of up to 10 kJ/mol.

Reactions of Xe(3 P 2) and Xe(3 P 1) with HCl, HBr and HI; energy utilization, energy disposal, product rotational polarization and reaction dynamics

“…Energy resolved digitized fluorescence spectra excited in collisions of Xe(3P2) with HBr and HI were recorded at the University of Iceland using a discharge flow system under conditions similar to those described previously [16]. No emission could be detected from Xe(3P2) and HC1.…”

“…The data were averaged at 50 cm-1 intervals for subsequent analysis using the direct inversion procedure described elsewhere [12]. This generated vibrational population histograms for the vibrational energy disposal in the fluorescent rare gas halide products XeX(B( 89 Experimental conditions that effectively precluded significant relaxation of the nascent distributions were readily maintained since the energy available for distribution is relatively low (typically < 35 kJ mol-t) so that only low vibrational levels of the product are populated and at pressures of argon < 130 Pa, the relaxation times from these levels are long compared to the fluorescence lifetimes of the rare gas halides [16].…”