作者:阮文 刊名:井冈山大学学报:自然科学版 上传者:卢皎



第 31卷第 5期 2010年 9 月 Vol-3l No.5 Sep.2010 井冈山大学学报 (自然科学版) Journal of Jinggangshan University(Natural Science) 31 文章编号:1674—8085(2010)05.0031-04 OX(X=H、D、T)分子第一激发态(A 2∑+)的 离解能和解析势能函数 阮 (井冈山大学数理学院, 文 江西 ,吉安 343009) 摘 要:研究氢同位素ox(X=H、D、]广)分子第一激发态(A ∑ )的离解能和解析势能函数。首先,根据光谱常数导 出氢同位素Ox分子第一激发态(A ∑ )的力常数和离解能,基于同位素效应计算OT(A ∑ )的光谱常数。进而利用 逆向法计算氢同位素OH、OD、0T双原子分子第一激发态(A ∑十)的解析势能函数。并将OH分子第一激发态(A ∑+) 和基态(X2兀)的势能曲线进行了比较。确定TOH分子第一激发态(A ∑ )的垂直激发能,与文献结果一致。这一结 论可用于重水提氚的热力学与分子反应动力学研究。 关键词:氢同位素ox(X=H、D、T)分子;第一激发态(A2E );Murrel1.Sorbie(M.S1函数 中图分类号:O561.3 文献标识码:A DOI:IO.39698.issn.1674.8085.2010.05.007 DISSOCIATION ENERGY AND ANALYTIC PoTENTIAL ENERGY FUNCTIoNS FoR HYDRoGEN ISoToPIC MoLECULES oF OX(X=H,D,T) RUAN W en (School of Mathematics and Physics,Jinggangshan University,Ji’an,Jiangxi 343009,China) Abstract:The spectroscopic data of the first excited state(A ∑十)of OT molecule are calculated by using the isotopic efect.The force constants and the dissociation energies of the first excited state for hydrogen isotopic OH,OD and OT molecules are derived by the SO—called converse method using spectroscopic da ta.Furthermore, the potential energy functions of hydrogen isotopic OH,OD and OT molecules are educed.Compared the potential energy curves of the first excited state(A ∑十)with the ground state(x 兀),we obtain the vertical excitation energy flor the first excited state(A ∑ )of OH molecule.It is in good agreement with some references. This result can also be used for the