ChemRxiv
These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
1/1
0/0

Dynamic Effects May Affect Hammett Linear Free Energy Relationship

preprint
submitted on 26.10.2019 and posted on 30.10.2019 by Xinyu Xu, Zongchang Han
The aromatic nucleophilic substitution reaction in the Clayden rearrangement reaction has an abnormal Hammett linear free energy relationship1. Inspired by the concertedstepwise variation of the aromatic nucleophilic substitution reaction in 20182, we determined the mechanism of Clayden rearrangement reaction under several conditions by DFT calculation then explained the mechanism diversity. We also found that there is a significant dynamic effect in the system due to the emergence of dynamic intermediates, which may be one of the reasons for the Hammett linear free energy relationship.

History

Email Address of Submitting Author

hzc17@mails.tsinghua.edu.cn

Institution

Tsinghua University

Country

People's Republic of China

ORCID For Submitting Author

0000-0002-5294-9256

Declaration of Conflict of Interest

No

Licence

Exports

Logo branding

Licence

Exports