Ab initio study of the electrochemical polymerization mechanism of ω–diamines
Autor: | Guillaume Herlem, Boris Lakard, Bernard Fahys |
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Rok vydání: | 2001 |
Předmět: | |
Zdroj: | The Journal of Chemical Physics. 115:7219-7226 |
ISSN: | 1089-7690 0021-9606 |
Popis: | The anodic oxidation of liquid ω–diamine based-electrolyte leads to the passivation of the electrode surface by an insulating film as shown by using an electrochemical quartz crystal microbalance (EQCM) coupled with cyclic voltammetry (CV) technique. These films were identified by infrared-attenuated total reflectance (IR-ATR) as polymeric films: linear polyethylenimine (L-PEI) film for EDA based-electrolyte and linear propylenimine (L-PPI) for 1,3 DAP. We also performed computations of energy and thermochemical values with the quantum-chemical Onsager self-consistent reaction field (SCRF) method at the Hartree–Fock level for modeling the reaction mechanisms leading to the polymeric films. |
Databáze: | OpenAIRE |
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