A dynamic picture of the halolactonization reaction through a combination of ab initio metadynamics and experimental investigations-Reference-Cited by-同舟云学术

A dynamic picture of the halolactonization reaction through a combination of ab initio metadynamics and experimental investigations

Published:2021 Issue:22 Volume:12 Page:7746-7757
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Van Lommel Ruben¹²³⁴⁵^ORCID,Bock Jonathan⁶²⁷³⁴,Daniliuc Constantin G.⁸⁹¹⁰¹¹,Hennecke Ulrich⁶²⁷³⁴^ORCID,De Proft Frank¹²³⁴⁵^ORCID

Affiliation:

1. Eenheid Algemene Chemie (ALGC)

2. Department of Chemistry

3. Vrije Universiteit Brussel (VUB)

4. 1050 Brussels

5. Belgium

6. Organic Chemistry Research Group (ORGC)

7. Department of Bioengineering Sciences

8. Institute for Organic Chemistry

9. University of Muenster

10. 48149 Münster

11. Germany

Abstract

Ab initio dynamics of the halolactonization reaction provide insights into the diastereoselectivity of the reaction. Noncovalent interactions between the substrate, halogen source and solvent are revealed to direct the formation of the syn-product.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SC/D1SC01014J

Reference79 articles.

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