Electron Acceptor Properties of DDT and Molecular Mechanism of its Toxicity

Stanislav A. Pshenichnyuk, Alberto Modelli, Alexei S. Komolov

Результат исследований: Публикации в книгах, отчётах, сборниках, трудах конференцийглава/разделнаучнаярецензирование

1 Цитирования (Scopus)


This Chapter reports the empty-orbital electronic structure and experimental data of dissociative electron attachment (DEA) to the gas-phase molecules DDT (1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-chlorobenzene)) and its principal metabolite DDE (1,1-bis-(4-chlorophenyl)-2,2-dichloroethene), which possesses good electron-withdrawing abilities. Electron transmission spectroscopy (ETS) is employed to study formation of temporary negative ions (TNIs) by electron addition to vacant molecular orbitals of neutral molecules. Fragments formed by dissociation of TNIs, in kinetic competition with extra electron detachment, were detected by means of DEA spectroscopy. The experimental findings are supported by density functional theory (DFT) calculations. According to ideas put forward by James Lovelock in the early sixties of the XX century, these findings play a vital role to describe toxic effects produced in vivo by free radical formation followed by deactivation of enzymes by chemicals with high
Язык оригиналаанглийский
Название основной публикацииDDT: Properties, Uses and Toxicity
ИздательNova Science Publishers, Inc.
ISBN (печатное издание)978-1-53610-009-9
СостояниеОпубликовано - 2016

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