experimental and theoretical study of stable phosphorus ylides derived from 5-nitroindazole in the presence of different acetyelenic esters: furthure insight into the reaction mechanism
نویسندگان
چکیده
the kinetics of the reactions between triphenylphosphine 1 and dialkyl acetylenedicarboxylates 2, in the presence of a nh-acid such as 5-nitroindazole 3,were studied. corresponding kinetic parameters to all reactions were evaluated, with the second order rate constant (k) values calculated. effects of solvent, temperature, and reactants (dialkyl acetylenedicarboxylates) structure and concentration were evaluated on the reaction rates. theoretical studies were performed to evaluate potential energy surfaces for all structures participating in the reaction mechanism. for all reactions, the first step was recognized as the rate-determining step, on the basis of experimental and theoretical data. quantum mechanical calculations were utilized to clarify how the ylides exist in solution as a mixture of two geometrical isomers (z- and e-) -the issue of majority isomer.
منابع مشابه
Experimental and Theoretical Study of Stable Phosphorus Ylides Derived from 5-Nitroindazole in the Presence of Different Acetyelenic Esters: Furthure Insight into the Reaction Mechanism
The kinetics of the reactions between triphenylphosphine 1 and dialkyl acetylenedicarboxylates 2, in the presence of a NH-acid such as 5-nitroindazole 3,were studied. Corresponding kinetic parameters to all reactions were evaluated, with the second order rate constant (k) values calculated. Effects of solvent, temperature, and reactant...
متن کاملTheoretical study on the mechanism of stable phosphorus ylides derived from 5-aminoindazole in the presence of different dialkyl acetyelenedicarboxylates
In the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of NH-acid, such as 5-aminoindazole 3 were investigated theoretically. Quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. The first step of ...
متن کاملtheoretical study on the mechanism of stable phosphorus ylides derived from 5-aminoindazole in the presence of different dialkyl acetyelenedicarboxylates
in the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of nh-acid, such as 5-aminoindazole 3 were investigated theoretically. quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. the first step of ...
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عنوان ژورنال:
physical chemistry researchجلد ۴، شماره ۲، صفحات ۲۲۱-۲۳۰
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