Sterical index: a novel, simple tool for the interpretation of organic reaction mechanisms

2023 vol 2 issue 1

Short communication
Ewa Dresler¹ , Radwan Allnajar^2,3 , Radomir Jasiński^4,5*

¹ Łukasiewicz Research Network – Institute of Heavy Organic Synthesis
“Blachownia” Energetyków 9, 47-225 Kędzierzyn-Koźle, Poland
² Department of Chemistry, Faculty of Science, University of Benghazi, Benghazi, Libya
³ PharmD, Faculty of Pharmacy, Libyan International Medical University, Benghazi, Libya
⁴ Radom Scientific Society, Rynek 15, 26-600 Radom, Poland
⁵ Department of Organic Chemistry and Technology, Cracow University of Technology, Warszawska 24, 31-155 Cracow, Poland
Correspondence to: radomir.jasinski@pk.edu.pl

Pages 69-74
https://doi.org/10.58332/scirad2023v2i1a06

PDF

Abstract
A new, simple index for the quantitative description of steric effects was proposed based on the results of DFT calculations. This effect was connected with the disturbance of synchronicity within transition states of the model Diels-Alder reaction. The obtained results offer the possibility of predicting steric effects determined by alkyl groups for a wide range of bimolecular processes.

Keywords
organic reactivity, steric effect, cycloaddition

First published: 27.03.2023