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Mo approach to the aromaticity of transition states of the generalized pericyclic reactions
Affiliation:1. Donostia International Physics Center (DIPC), Donostia, Euskadi, Spain;2. Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia, Kimika Fakultatea, Euskal Herriko Unibertsitatea UPV/EHU, Donostia, Euskadi, Spain;3. IKERBASQUE, Basque Foundation for Science, Bilbao, Euskadi, Spain;1. State Key Laboratory of Physical Chemistry of Solid Surfaces and Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China;2. Key Laboratory for Organic Electronics & Information Displays (KLOEID) and Institute of Advanced Materials (IAM), SICAM, Nanjing University of Posts & Telecommunications, Nanjing 210023, China;3. Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, China;4. Institute of Computational Chemistry and Catalysis and Department of Chemistry, University of Girona, C/ M. Aurèlia Capmany, 69, 17003 Girona, Catalonia, Spain;5. School of Science and Engineering, The Chinese University of Hong Kong, Shenzhen 518172, China
Abstract:The aromaticity of transition states of generalised pericyclic reaction has been examined by the HMO method. Established thereby is a secular equation from which all the specific secular equations for different types of pericyclic reactions can be derived and with which the generalistion of Woodward and Hoffman can be substantiated.
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