The oriented C2Cl6− radical in irradiated hexachloroethane single crystals: An EPR and molecular-orbital study

✍ Scribed by Lowell D. Kispert; Kenneth G. Ezell; Joy Joseph

• Publisher: Elsevier Science
• Year: 1987
• Tongue: English
• Weight: 494 KB
• Volume: 141
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(87)85010-8

✦ Synopsis

The C_ZI; radical has been detected by EPR methods in X-ray irradiated C$l, crystals at 77 K. The radical, which decays rapidly upon exposure to visible light at 77 K, retains the staggered configuration of C&l6 and exhibits a structure in which the directions of the largest chlorine hypefine tensor component and smallest component of the g-tensor occur close to the C-C bond direction. In contrast, an INDO calculation predicts that the largest unpaired electron density occurs along the C-Cl bond dire@ tion and the C-Cl bond length increases by 0.4 A upon electron addition.