IMPROVED POTENTIAL-ENERGY CURVES AND DISSOCIATION-ENERGIES FOR HF, DF AND TF

被引:67
作者
ZEMKE, WT
STWALLEY, WC
COXON, JA
HAJIGEORGIOU, PG
机构
[1] UNIV IOWA,CTR LASER SCI & ENGN,IOWA CITY,IA 52242
[2] UNIV IOWA,DEPT CHEM,IOWA CITY,IA 52242
[3] UNIV IOWA,DEPT PHYS & ASTRON,IOWA CITY,IA 52242
[4] DALHOUSIE UNIV,DEPT CHEM,HALIFAX B3H 4J3,NS,CANADA
关键词
D O I
10.1016/0009-2614(91)85076-9
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
We have constructed new hybrid potential energy curves for the ground states of HF, DF and TF based primarily on the experimentally based potentials of Coxon and Hajigeorgiou which include the isotopic dependence of the Born-Oppenheimer break-down. For observed and unobserved quasibound states of HF and DF, we used these potentials and calculated quasibound energies and linewidths for various dissociation energies D(e). Based on a comparison of calculated and observed line positions and widths, we determined improved D(e) values: for HF, D(e) = 49362 +/- 5 cm-1 (D(o) = 47311 cm-1); for DF, D(e) = 49346 +/- 8 cm-1 (D(o) = 47856 cm-1); for TF, D(e) = 49341 +/- 9 cm-1 (D(o) = 48093 cm-1).
引用
收藏
页码:412 / 418
页数:7
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