首页 | 本学科首页   官方微博 | 高级检索  
     


Spectroscopy and dissociation of sulfuryl halides SO2X2 (X=F,Cl)
Authors:Deepanwita Ghosh  Bhaskar Mondal
Affiliation:Department of Spectroscopy , Indian Association for the Cultivation of Science , Jadavpur, Kolkata, 700 032, India
Abstract:The spectroscopy and dissociation of the sulfuryl halides SO2F2 and SO2Cl2 have been studied in detail using ab initio methods. The possibility of various dissociation channels has been explored taking into account that the fragmented atoms and molecules can stay in their ground state only. An interesting pattern was observed in their dissociation energy spectra for the dissociation channels. The singlet potential energy surfaces for the exit channels of these molecules have been analysed. The release of halogen molecules after dissociation is discussed from an industrial point of view. Finally, the enthalpy of formation of these molecules was computed using the ab initio results. Our results agree very well with the experimental values available.
Keywords:spectroscopy  dissociation processes  PES  enthalpy of formation  sulfuryl halides  ab initio
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号