Journal ArticleDOI
Novel aromatic system. 6. The bis(tetramethylhomocyclopropenyl) dication
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This article is published in Journal of the American Chemical Society.The article was published on 1976-07-01. It has received 23 citations till now. The article focuses on the topics: Dication.read more
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Pericyclic and Pseudopericyclic Thermal Cheletropic Decarbonylations: When Can a Pericyclic Reaction Have a Planar, Pseudopericyclic Transition State?1
TL;DR: A series of thermal cheletropic decarbonylations show dramatic differences in reaction pathways and in activation energies depending on the molecular orbital topology, as calculated by using ab initio molecular orbital theory (MP2(FC)/6-31G* optimized geometries and MP4/D95 + ZPE single point energies).
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Further Pseudopericyclic Reactions: An ab Initio Study of the Conformations and Reactions of 5-Oxo-2,4-pentadienal and Related Molecules
TL;DR: In this paper, the rotational barrier to internal proton transfer from 16 is only 0.8 kcal/mol, while the barrier from 18 is 23.7 kcal/min.
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Deciphering the mechanistic dichotomy in the cyclization of 1-(2-ethynylphenyl)-3,3-dialkyltriazenes: competition between pericyclic and pseudocoarctate pathways.
TL;DR: The mechanistic aspects of the cyclization of (2-ethynylphenyl)triazenes under both thermal and copper-mediated conditions are reported and a carbene mechanistic pathway is proposed.
Journal ArticleDOI
The Realities of Extended Homoaromaticity
TL;DR: A detailed survey of relevant spectral and structural data, as well as an analysis of the many reactions believed to involve generation of homoaromatic ions can be found in this article.
Journal ArticleDOI
Electrocyclic Ring Openings of 2-Furylcarbene and Related Carbenes: A Comparison between Pseudopericyclic and Coarctate Reactions
TL;DR: In this article, the first comparison of pseudopericyclic and coarctate orbital topologies in concerted reactions was made, and the G2(MP2) barrier for the ring opening of 5c was estimated to be 6.4 kcal/mol.