NEUTRAL RARE-GAS CONTAINING CHARGE-TRANSFER MOLECULES IN SOLID MATRICES .2. HXEH, HXED, AND DXED IN XE

被引:178
作者
PETTERSSON, M
LUNDELL, J
RASANEN, M
机构
[1] Laboratory of Physical Chemistry, FIN-00014, Helsinki
关键词
D O I
10.1063/1.469632
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Photolysis of hydrogen halides (and some other hydrogen containing small molecules) in solid Xe yields in a two step process charged centers, one of them being XeHXe+. Annealing of the irradiated doped solids produces, in addition to H-Xe-Y (Y=Cl, Br, or I) species characterized by us previously, a fairly strong doublet at 1181 and 1166 cm-1 and a weak absorption at 701 cm-1. Deuterated precursors yield a doublet at 846 and 856 cm-1. Also peaks belonging to mixed H/D form are found, indicating that the absorbing species contains two H/D atoms. The new species responsible for these absorptions are assigned as neutral linear centrosymmetric HXeH, HXeD, and DXeD. The nature of the bonding can be understood in terms of the resonance between the two ionic forms HXe+H- and H -Xe+H, analogously to the valence bond description of the well known XeF2. The pseudopotential (LANL1DZ) ab initio calculations at the MP2 level are in good agreement with the observed spectra. © 1995 American Institute of Physics.
引用
收藏
页码:205 / 210
页数:6
相关论文
共 20 条
[1]  
BARTLETT N, 1962, P CHEM SOC LONDON, P218
[2]   Diatomic ions of noble gas fluorides [J].
Berkowitz, J. ;
Chupka, W. A. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (04) :447-450
[3]   NATURE OF BONDING IN XENON FLUORIDES + RELATED MOLECULES [J].
COULSON, CA .
JOURNAL OF THE CHEMICAL SOCIETY, 1964, (APR) :1442-&
[4]   ENERGY-STORAGE AND THERMO-LUMINESCENCE IN HALOGEN DOPED SOLID XENON .3. PHOTODYNAMICS OF CHARGE SEPARATION, SELF-TRAPPING, AND ION HOLE RECOMBINATION [J].
FAJARDO, ME ;
APKARIAN, VA .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (07) :4124-4136
[5]   CHARGE-TRANSFER PHOTODYNAMICS IN HALOGEN DOPED XENON MATRICES .2. PHOTOINDUCED HARPOONING AND THE DELOCALIZED CHARGE-TRANSFER STATES OF SOLID XENON HALIDES (F, CL, BR, I) [J].
FAJARDO, ME ;
APKARIAN, VA .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (07) :4102-4123
[6]   COOPERATIVE PHOTOABSORPTION INDUCED CHARGE-TRANSFER REACTION DYNAMICS IN RARE-GAS SOLIDS .1. PHOTODYNAMICS OF LOCALIZED XENON CHLORIDE EXCIPLEXES [J].
FAJARDO, ME ;
APKARIAN, VA .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (10) :5660-5681
[7]  
Frisch M.J., 1992, GAUSSIAN 92 REVISION
[8]   COVALENT AND IONIC STATES OF XENON HALIDES [J].
HAY, PJ ;
DUNNING, TH .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (05) :2209-2220
[9]  
HAY PJ, 1985, J CHEM PHYS, V82, P270, DOI 10.1063/1.448799
[10]  
HAY PJ, 1985, J CHEM PHYS, V82, P299, DOI [10.1063/1.448799, 10.1063/1.448800]