Codimerization of norbornene and 1,3-cyclopentadiene: quantum chemical and experimental research
Journal Article
·
· Russian Chemical Bulletin
- M. V. Lomonosov Institute of Fine Chemical Technologies, MIREA — Russian Technological University (Russian Federation)
A comprehensive theoretical and experimental research of the diene synthesis involving norbornene (1) and 1,3-cyclopentadiene (2) was carried out. The thermodynamic and kinetic parameters were evaluated by quantum chemical methods, and the structures of stereoisomeric products and the quantitative estimation of their ratio were predicted. The results of quantum chemical analysis were experimentally confirmed. The structures of codimers of 1 with 2 and their ratio were determined by a number of physicochemical methods. A strategy combining the theoretical and experimental studies and enabling to optimize the search for objects for the synthesis and reaction conditions was proposed.
- OSTI ID:
- 22863312
- Journal Information:
- Russian Chemical Bulletin, Journal Name: Russian Chemical Bulletin Journal Issue: 8 Vol. 67; ISSN RCBUEY; ISSN 1066-5285
- Country of Publication:
- United States
- Language:
- English
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