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2009 | 7 | 3 | 486-493
Tytuł artykułu

Electrochemical study and MO - modeling of the reduction behaviour of some arylidene substituted derivatives of dibenz [b,e]-thiepin-5,5-dioxide-11-one

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
The electrochemical reduction of four arylidene substituted derivatives of dibenz-[b,e]-thiepin-5,5-dioxide-11- one has been studied by cyclic voltammetry on platinum (Pt) electrode in aprotic media (DMSO), coupled with spectral EPR techniques. From the analysis of cyclic voltammetry experiments, aided by digital simulations using DigiSim software, the kinetic and thermodynamic parameters were evaluated for each system. The electrochemical behaviour is strongly directed by the nature of the arylidene substituents bound to the central heterocycle. The electrochemical investigation and solvent dependent semiempirical modeling using the PM3 hamiltonian in the frame of AMPAC program package allowed a rationalisation of experimental data regarding the electrochemical reduction and the reactivity of the intermediate species involved. [...]
Wydawca

Czasopismo
Rocznik
Tom
7
Numer
3
Strony
486-493
Opis fizyczny
Daty
wydano
2009-09-01
online
2009-06-21
Twórcy
  • Institute of Physical Chemistry “I.G. Murgulescu”, Bucharest RO, 060021, Romania
Bibliografia
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Typ dokumentu
Bibliografia
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