【摘 要】
：
The reaction mechanism of phenylamine reacting with 1,4-butanediol to give N-phenylpyrrolidine was investigated with traditional transition state theory. Based
【机 构】
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College of Chemistry and Chemical Engineering Liaoning Normal Univeristy,College of Chemistry and C
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The reaction mechanism of phenylamine reacting with 1,4-butanediol to give N-phenylpyrrolidine was investigated with traditional transition state theory. Based on the experi-mental results, two reaction channels were discussed. The geometries of their reactants, products, intermediates and transition states were optimized. The possible transition state and activation energy were determined by vibrational analysis and IRC verification. And finally, the main reaction channel was given.
The reaction mechanism of phenylamine reacting with 1,4-butanediol to investigated N-phenylpyrrolidine was investigated with traditional transition state theory. Based on the experi-mental results, two reaction channels were discussed. The geometries of their reactants, products, intermediates and transitions states were optimized. The possible transition state and activation energy were determined by vibrational analysis and IRC verification. And finally, the main reaction channel was given.
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