The anisotropic ESR spectrum of the SF5 radical

✍ Scribed by Akinori Hasegawa; Ffrancon Williams

• Publisher: Elsevier Science
• Year: 1977
• Tongue: English
• Weight: 352 KB
• Volume: 45
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(77)80268-6

✦ Synopsis

I'be polycrystalline ESR spectrum of the SF5 radical has been observed in y-irradiated sulphur hesafluoride at -196' after annealïng the sample at -137' to remove the SF6 radical which is also produced by the ïrradiation. A satisfactory simulation of the highly anisotropic powder spectrum was achieved by adopting Cav symmetry for the SFs radical with the major principal axes of the equatorial "F'hyperfine tensors inciined at an angie of 30" to the basirl plane of the four equatorial fluorïnes. Sïnce these axes are considered to represent the approximate directions of the S-Fe u bonds in thë radical, the results contrast with previous INDO calcuIations indicating that the sulphur atom lies close to the basal plane in equilibrium geometry. As expected, a iarge fraction (ca. 50%) of thc total spin density is present in the 2p, orbitals of the equatorial fluorines with the remainder distributed between the sulphur 3s orbital and the sulphur 3p, orbital which has its axis perpendicular to the basal plane.