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Number of results
Journal
2009 | 7 | 3 | 486-493
Article title

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

Content
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EN
Abstracts
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. [...]
Publisher

Journal
Year
Volume
7
Issue
3
Pages
486-493
Physical description
Dates
published
1 - 9 - 2009
online
21 - 6 - 2009
Contributors
  • Institute of Physical Chemistry “I.G. Murgulescu”, Bucharest RO, 060021, Romania
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11532-009-0046-7
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