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Confirmation of the cation radicals of hexamethylethane and hexamethyldisilane by ESR and other spectroscopy

โœ Scribed by Tadamasa Shida; Hideo Kubodera; Yoshikazu Egawa


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
338 KB
Volume
79
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


Recetved 6 February 1951, m %ul form 17 Februar) 1981 Un~mb~uous ESR spectra of catson radlmls of he~~meth~Iethane snd he~~meth~ldssI~ne were obtamed for r-uradlared solutions m CCIsF at 77 and I40 Ii INDO ulculatlons, optical measurements, and compzirlson wth photoelectron spectra are conslstenr wrth the observed ESR spectra


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We&resolved ESR spectra of the n-butane and n-hexane radicaI cations have been generated, each spectrum showing a I : 2 : 1 triplet and a detarIed substructure. The resufts are mterpreted in terms of an ag singly occupied MO (oC\_\_C UC-H,) which is delocabzed over the extended carbon chain (C2b sym

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The optical detection (OD) ESR and Freon matrix ESR spectra were observed for the radical cations of 9,lO-octalin and cyclohexene from 77 to 300 K. The observed spectral change was attributed to ring inversion in both radical cations based on MO calculations and an analysis by the modified Bloch equ