SOLUTION AND POWDER X-BAND AND Q-BAND ESR-SPECTRA OF THE 1,3,5-TRITHIA-2,4,6-TRIAZAPENTALENYL RADICAL

被引：16

作者：

CHUNG, YL

SANDALL, JPB

SUTCLIFFE, LH

JOLY, H

PRESTON, KF

JOHANN, R

WOLMERSHAUSER, G

机构：

[1] UNIV LONDON ROYAL HOLLOWAY & BEDFORD NEW COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND

[2] NATL RES COUNCIL CANADA,STEACIE INST MOLEC SCI,OTTAWA K1A 0R9,ONTARIO,CANADA

[3] UNIV KAISERSLAUTERN,FACHBEREICH CHEM,W-6750 KAISERSLAUTERN,GERMANY

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 1991年 / 29卷 / 06期

关键词：

TRIAZAPENTALENYL RADICAL; DITHIAZOLYL RADICALS; PI-RADICALS; ESR SPECTROSCOPY;

D O I：

10.1002/mrc.1260290615

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

From the ESR spectra of the stable 1,3,5-trithia-2,4,6-triazapentalenyl free radical, obtained at two microwave frequencies in both the solution and the solid state, it was shown to be a pi radical. From the spectra and their computer simulations were derived an unpaired s-spin population of 1.7% for the unique nitrogen and 0.1% for the two equivalent nitrogens. The corresponding p(x)-spin populations were found to be 43.5% and 1.8%, respectively. The unpaired s-spin population of the two equivalent sulphurs was estimated to be 0.3%.

引用

页码：625 / 630

页数：6

共 13 条

[1] THE HIGH-YIELD PREPARATION, CHARACTERIZATION, AND GAS-PHASE STRUCTURE OF THE THERMALLY STABLE CF3CSNSCCF3., 4,5-BIS(TRIFLUOROMETHYL)-1,3,2-DITHIAZOLYL AND THE X-RAY CRYSTAL-STRUCTURE OF BENZO-1,3,2-DITHIAZOLYL [J].