2008•Chemical engineerRequires access

Cycloaddition reaction of dimethylcarbene and ethylene and study on its thermodynamics and kinetics

Haibin Yu

Open publisher page 0 citations

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.

About this research paper

What this paper is about

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.

Why it matters

A significance statement is not available in the OpenAlex record.

Key contribution

A contribution statement is not available in the OpenAlex record.

Method / approach

Method details are not available in the OpenAlex metadata.

Main findings

Findings are not separately available in the OpenAlex metadata.

Limitations

Limitations are not available in the OpenAlex metadata.

Applications

Application details are not available in the OpenAlex metadata.

Available 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.

Key concepts: Cycloaddition, Singlet state, Ethylene, Kinetics, Potential energy surface, Chemistry, Thermodynamics, Reaction mechanism

Related papers

Back to paper searchBrowse research topicsOriginal source
Cycloaddition reaction of dimethylcarbene and ethylene and study on its thermodynamics and kinetics — Research Paper | ScholarLens