Quantum Topological Study on the Changes of Chemical Bonds in 1,2-Dehydrogenation of Methylenimine

Chem. J. Chinese Universities ›› 1992, Vol. 13 ›› Issue (8): 1106.

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Quantum Topological Study on the Changes of Chemical Bonds in 1,2-Dehydrogenation of Methylenimine

MENG Ling-Peng¹, CAI Xin-Hua¹, ZHENG Shi-Jun¹, ZHAO Cheng-Da², CHEN Bin²

1. Department of Chemistry, Hebei Teacher s College, Shijiazhuang, 050091;
2. Department of Chemistry, Northeast Normal University, Changchun

Received:1991-07-29 Online:1992-08-24 Published:1992-08-24

Abstract

Abstract: After the reaction ergodography,the changes of chemical bonds in 1,2-dehydrogena tion of methylenimine were studied by means of topological analysis on the electron charge density.The breakage and formation of chemical bonds in the reaction path can be understood clearly from the topological properties at the critical points of these bonds.Our results present a further certification for the conclusion of the reaction which is cooperative but synchronous.Our work provides a new method for studying chemical reaction as well.

Key words: Quantum topology, Electron charge density, Reaction path, Chemical bond

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MENG Ling-Peng, CAI Xin-Hua, ZHENG Shi-Jun, ZHAO Cheng-Da, CHEN Bin. Quantum Topological Study on the Changes of Chemical Bonds in 1,2-Dehydrogenation of Methylenimine[J]. Chem. J. Chinese Universities, 1992, 13(8): 1106.

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Quantum Topological Study on the Changes of Chemical Bonds in 1,2-Dehydrogenation of Methylenimine

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