an experimental and quantumchemical study of [2+3] cycloaddition between (z)-c-(m,m,p-trimethoxyphenyl)-n-(p-methyphenyl)-nitrone and (e)-3,3,3-trichloro-1-nitroprop-1-ene: mechanistic aspects

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ID: 231021
2015
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Abstract
Analysis of addent interactions with respect to the theory of electrophilicity and nucleophilicity indexes and kinetic studies shows the polar nature of [2+3] cycloaddition of (Z)-C-(m,m,p-trimethoxyphenyl)-N-(p-methylphenyl)-nitrone to (E)-3,3,3-trichloro-1-nitroprop-1-ene. However, PES exploration results do not confirm any zwitterion on the reaction paths. On the other hand, the nature of the solvent effect and the experimentally determined activation parameter values do not exclude a scenario in which one-step and stepwise processes occur simultaneously.
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Authors ;Alicja Szczepanek;Ewa Jasińska;Agnieszka Kącka,;Radomir Jasiński
Journal proceedings - 2018 4th international conference on computing, engineering, and design, icced 2018
Year 2015
DOI
10.5267/j.ccl.2014.10.003
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