Cycloaddition reaction of dimethylcarbene and ethylene and study on its thermodynamics and kinetics
Haibin Yu
Abstract
Haibin Yu
Abstract
The cycloaddition reaction between singlet dimethylcarbene and ethylene has been investigated with the MP2/6-31G* method,including geometry optimization and vibrational analysis for the involved stationary points on the potential energy surface.On the basis of the potential energy surface obtained with the MP2/6-31G* method for the cycloaddition reaction between singlet dimethylcarbene and ethylene,we give the reaction path reaction mechanism and the best reaction condition of this reaction combined with the parameters of thermodynamics and kinetics of this reaction.
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The cycloaddition reaction between singlet dimethylcarbene and ethylene has been investigated with the MP2/6-31G* method,including geometry optimization and vibrational analysis for the involved stationary points on the potential energy surface.On the basis of the potential energy surface obtained with the MP2/6-31G* method for the cycloaddition reaction between singlet dimethylcarbene and ethylene,we give the reaction path reaction mechanism and the best reaction condition of this reaction combined with the parameters of thermodynamics and kinetics of this reaction.
Key concepts: Cycloaddition, Singlet state, Ethylene, Kinetics, Potential energy surface, Chemistry, Thermodynamics, Reaction mechanism