Title of article
The DFT study on racemisation of atropisomeric biaryls
Author/Authors
Kap?on، Katarzyna نويسنده Department of Organic Chemistry, Maria Curie-Sk?odowska University, 33 - Gliniana Street, 20-614 Lublin, Poland , , Demchuk، Oleg M. نويسنده Department of Organic Chemistry, Maria Curie-Sk?odowska University, 33 - Gliniana Street, 20-614 Lublin, Poland , , Pietrusiewicz، K. M. نويسنده Department of Organic Chemistry, Maria Curie-Sk?odowska University, 33 - Gliniana Street, 20-614 Lublin, Poland , , Gilanizadeh، Masumeh نويسنده Department of Chemistry, Faculty of Science, Urmia University, Urmia 5756151818, Iran , , Zeynizadeh، Behzad نويسنده ,
Issue Information
فصلنامه با شماره پیاپی 16 سال 2015
Pages
8
From page
145
To page
152
Abstract
The process of racemisation of atropisomeric biaryls was modelled by means of DFT calculations at an advanced B3LYP/6-31G* theoretical level. Thus, the detailed protocol of determination of the racemisation rate presented herein provides a practical prediction tool for elucidation of the configurational stability of atropisomers.
Journal title
Current Chemistry Letters
Serial Year
2015
Journal title
Current Chemistry Letters
Record number
2165565
Link To Document