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二元羧酸中的自由基:77K下γ辐照戊二酸单晶的电子自旋共振研究

Free radicals in dicarboxylic acids: an e.s.r. study of gamma-irradiated single crystals of glutaric acid at 77 K.

作者信息

Bergene R, Minegishi A, Riesz P, Melø T B

出版信息

Int J Radiat Biol Relat Stud Phys Chem Med. 1980 Mar;37(3):237-47. doi: 10.1080/09553008014550301.

Abstract

Electron spin resonance techniques were used to study the gamma-radiation-induced free radicals in single crystals of glutaric acid in the temperature range from 77 K to 300 K. Three different radicals are stabilized at 77 K. The decarboxylation radical is the dominant species and the other two radicals are assigned to the anion and to the substituted acetyl sigma-radical. When the temperature of the crystal is raised, these radicals disappear and the previously studied room temperature radicals appear. E.S.R.-data and the results from semi-empirical INDO-MO calculations were compared in order to elucidate the structures of the various radicals.

摘要

利用电子自旋共振技术研究了温度范围从77 K到300 K的戊二酸单晶中γ辐射诱导产生的自由基。在77 K时稳定存在三种不同的自由基。脱羧自由基是主要种类,另外两种自由基分别被归为阴离子自由基和取代乙酰σ自由基。当晶体温度升高时,这些自由基消失,之前研究的室温自由基出现。为了阐明各种自由基的结构,对电子自旋共振数据和半经验的间略微分重叠分子轨道计算结果进行了比较。

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