首页> 外文期刊>journal of chemical physics >Theoretical study of theX1Sgr;+,A1Pgr;,C1Sgr;minus;andE1Sgr;+states fo the SiO molecule
【24h】

Theoretical study of theX1Sgr;+,A1Pgr;,C1Sgr;minus;andE1Sgr;+states fo the SiO molecule

机译:Theoretical study of theX1Sgr;+,A1Pgr;,C1Sgr;minus;andE1Sgr;+states fo the SiO molecule

获取原文
           

摘要

The selfhyphen;consistenthyphen;field plus configurationhyphen;interaction method has been used to compute potential energy curves and certain onehyphen;electron properties for theX1Sgr;+,C1Sgr;minus;,A1Pgr;, andE1Sgr;+states of SiO. This study employed a basis consisting of 51 Slaterhyphen;type orbitals which is an expanded version of the one reported by McLean and Yoshimine. The computed groundhyphen;state dissociation energy (De) of 8.1 eV is in excellent agreement with the experimental value of 8.26plusmn;0.13 eV. The theoretical groundhyphen;state electric dipole moment function is in good agreement with the experimental curve constructed from the microwave data for thev=0ndash;3 vibrational levels. EinsteinAcoefficients for vibrationndash;rotation transitions computed from existing theoretical and experimental data are in good agreement. TheE1Sgr;+state is shown to dissociate adiabatically to groundhyphen;state atoms over a potential barrier with a maximum near 5 bohr. Calculated transition probabilities and radiative lifetimes for theA1Pgr;ndash;X1Sgr;+andE1Sgr;+ndash;X1Sgr;+band systems agree well with recent laboratory experiments. Absorption cross sections as a function of wavelength have been computed and used to determine the opacity of SiO boundary layers that will form on the surface of probe vehicles entering the Jovian atmosphere at high speeds. These calculations demonstrate that the brilliant shock layer emission will be significantly absorbed by the SiOA1Pgr;ndash;X1Sgr;+and SiOE1Sgr;+ndash;X1Sgr;+band systems in the boundary layer in the spectral region between 170 and 230 nm.

著录项

获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号