Mechanistic investigations of iodine(III) reactions

Dnr:

SNIC 2016/3-66

Type:

SNAC Small

Principal Investigator:

Berit Olofsson

Affiliation:

Stockholms universitet

Start Date:

2016-11-01

End Date:

2017-11-01

Primary Classification:

10405: Organisk kemi

Webpage:

http://www.organ.su.se/bo/

Allocation

Abstract

Our group is investigating the behavior of hypervalent iodine reagents (e.g. diaryliodonium salts) and their reaction mechanisms with various nucleophiles. Our previous mechanistic investigations have resulted in two publications: Chem. Eur. J., 2010, 16, 8251-8254, and Chem. Eur. J., 2013, 19, 10334-10342. The very interesting results from the last project (SNIC 2015/7-46) are reported in Angew. Chem. Int. Ed., 2016, 55, 8928-8932. We wish to continue investigating these reagents using the Gaussian09 program. Currently, the formation of various byproducts formed from aryne intermediates and oxidations are investigated with regards to different factors such as the electrophile, nucleophile, base, etc.