Estimation de logP de quelques dérivés ferrocèniques basée sur le concept de contributions des fragmentations du soluté LogP estimation of some ferrocene derivatives based on the concept of the contributions of fragmentations of solute

Ahmedi, Ridha (2013) Estimation de logP de quelques dérivés ferrocèniques basée sur le concept de contributions des fragmentations du soluté LogP estimation of some ferrocene derivatives based on the concept of the contributions of fragmentations of solute. ["eprint_fieldopt_thesis_type_phd" not defined] thesis, Faculté des sciences et de la technologie UMKBiskra.

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Abstract

Octanol–water partition coefficient, P, is a key physicochemical property for many filed of sciences such as pharmaceutical drugs, analytical chemistry, environmental science in the assessment of environmental fate, transport of organic chemicals and agrochemicals. This work describes new methods for determining logP values for a large number of ferrocene derivatives with widely varying structure, size and function using theoretical calculation and prediction from literature. Calculations are based on the adaptation of some existing methods such as Rekker, XLogP and ALogP. In order to validate our proposed theoretical method partition coefficients of a numerous ferrocene derivatives were also successfully determined, using for the first time square wave voltammetry techniques.Values of experimental and calculated logP of substituted ferrocene are in good agreement.

Item Type: Thesis (["eprint_fieldopt_thesis_type_phd" not defined])
Subjects: T Technology > T Technology (General)
Divisions: Faculté des Sciences et de la technologie > Département de Chimie Industrielle
Depositing User: admin-bu TMLBiskra
Date Deposited: 15 Dec 2015 08:55
Last Modified: 15 Dec 2015 08:55
URI: http://thesis.univ-biskra.dz/id/eprint/1632

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