Photoionization of 1,1-difluoroethane: The structure of the C2H3F2+ ions

✍ Scribed by Thomas Heinis; René Bär; Kurt Börlin; Martin Jungen

• Publisher: Elsevier Science
• Year: 1984
• Tongue: English
• Weight: 323 KB
• Volume: 105
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(84)85039-3

✦ Synopsis

In order to ea_plam the photoionization efficiency curve of the ions with m/e = 65 from CH3CHFZ. we have arried OUT ab initio cllculat~ons predicting energy differences and structural parameters for different Bomers and conformers of both the neutral system and the ion. Also, some heats of formation are estimated. l_ Introduction This paper is part of a study of the photoionization of l,l-dlfluoroethane. It deals with the stabilities and geometrical structures of the isomer ions with m/e = 65 CH3CF$ CH,FCHF* and CHF,CHs Further results shall be presented in a forthcommg paper. Electron-impact and photoionization experiments have been published repeatedly [l-5] for fluorinated hydrocarbons. Useful thermochemical data can be found in the papers of the Beauchamp group [4--61 and in refs. [7,8] Fluorinated hydrocarbons are particularly interesting because of the 'perfluoro effect" as descrrbed by Robin and co-workers [9]_ Narayan and Murrell [lo] and later Streets and Ceasar [ 1 1] have set up theoretical models for the mesomeric and inductive influence exerted by fluorine atoms 2. Experimental