โ Scribed by Haipeng Zheng; Ruifeng Zhang; Fengxia Dong; Yingguang Zheng; Jiacong Shen
No coin nor oath required. For personal study only.
Electron spin resonance (ESR) is a sensitive tool to detect the electronโtransfer processes in some specified systems from the change of the ESR signals. In this paper, the interaction between poly(N,Nโdimethylaniline) (PDMA) and 1,1โdiphenylโ2โpicrylhydrazyl (DPPH) was investigated by ESR spectra based on the stability of their radicals in ethanol. It is shown that an electronโtransfer process occurs from nitrogen atoms of PDMA molecules to those of DPPH molecules which makes PDMA form more stable radical cations and eliminates the radicals on DPPH.
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Intermolecular electron transfer ET between the parallel benzene anion radical and neutral benzene is studied at the UHFr4-31G level. It is found ลฝ y1 . that the diabatic activation energy remains almost invariant 14.2 kJ mol when d, the distance between the two parallel benzene rings, is ) 0.45 nm.
In the research of electron transfer (ET) reactions, the theoretical calculation of the ET matrix element V,, is of special importance. Some examples in which the two electron-localized states have a zero overlap were found. Thus, a new procedure for V B , calculation was developed and applied to th
Hydroxylization of poly(N,N-dimethylaniline) (PDMA) by using H202 in base medium gives rise to a new polyphenylene derivative containing a high concentration of stable phenoxy radicals in the solid state. In solution, hydroxylated PDMA can have two forms of stable radicals, phenoxy radical and radic