Unravelling the kinetics and molecular mechanism of the degenerate Cope rearrangement of bullvalene
Author:
Affiliation:
1. Department of Chemistry
2. Central Tehran Branch
3. Islamic Azad University
4. Tehran
5. Iran
6. Shahrood Branch
7. Shahrood
8. Department of Organic Chemistry
9. University of Valencia
10. 46100 Burjassot
11. Spain
Abstract
The kinetics and molecular mechanism of the gas phase degenerate Cope rearrangement (DCR) of bullvalene have been investigated by applying quantum mechanical calculations.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2020/NJ/C9NJ05965B
Reference59 articles.
1. Following the Molecular Mechanism for the NH3 + LiH → LiNH2 + H2 Chemical Reaction: A Study Based on the Joint Use of the Quantum Theory of Atoms in Molecules (QTAIM) and Noncovalent Interaction (NCI) Index
2. R. Chauvin , C.Lepetit , B.Silvi and E.Alikhani , Applications of Topological Methods in Molecular Chemistry , Springer International Publishing , Switzerland , 2016
3. Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory
4. The Mysticism of Pericyclic Reactions: A Contemporary Rationalisation of Organic Reactivity Based on Electron Density Analysis
5. Bader’s Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding
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