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EPR study of free-radical structure and conformation in pyridoxine hydrochloride single crystal

โœ Scribed by Jerzy T. Masiakowski; Ryszard Krzyminiewski; Jerzy Pietrzak

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
423 KB
Volume
116
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

Numerical analysis of experimental EPR spectra of y-u-radiated single crystals of pyridoxine hydrochloride (vitamin R) allowed determination of the structure of the radical formed. Si hyperfiie couplings were distinguished. The geometrical model bf the radical was found to be in good agreement with the geometry expected from the crystal structure_ Semi-empirical INDO and CNDO calculations were performed.

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Structure of a five-membered ring contai
Structure of a five-membered ring containing a phosphinyl radical: ab initio predictions and single-crystal EPR study
โœ Michel Geoffroy; Gustavo Terron; Gerald Bernardinelli ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 480 KB

The geometry of the tive-membered ring (1) containing a phosphinyl radical is studied by ab initio molecular orbital calculations. X-irradiation of a single crystal of 1,3benzazaphosphole (2) generates the cyclic phosphinyl radical (3) whose EPR parameters are obtained and compared with those calcul