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Network Analysis of Substituted Bullvalenes

Authors :
Yahiaoui, Oussama
Pašteka, Lukáš F.
Blake, Christopher J.
Newton, Christopher G.
Fallon, Thomas
Source :
Organic Letters; December 2019, Vol. 21 Issue: 23 p9574-9578, 5p
Publication Year :
2019

Abstract

Substituted bullvalenes are dynamic shape-shifting molecules that exist within complex reaction networks. Herein, we report the synthesis of di- and trisubstituted bullvalenes and investigate their dynamic properties. Trisubstituted bullvalenes share a common major isomer which shows kinetic metastability. A survey of the thermodynamic and kinetic landscapes through computational analysis together with kinetic simulation provides a map of the internal dynamics of these systems.

Details

Language :
English
ISSN :
15237060 and 15237052
Volume :
21
Issue :
23
Database :
Supplemental Index
Journal :
Organic Letters
Publication Type :
Periodical
Accession number :
ejs51584873
Full Text :
https://doi.org/10.1021/acs.orglett.9b03737