Back
β-Trifluoromethylated nitroethenes in Diels-Alder reaction with cyclopentadiene: A DFT computational study
Authors:
- Radomir Jasiński
Abstract
Mechanistic aspects of reactions between β-trifluoromethylated nitroethenes and cyclopentadiene has been examined using DFT computational methods It was found, that all considered processes have a polar nature. This polar character is given by the electrophilic character of β-trifluoromethylated nitroethenes (ω = 3.0-3.7 eV) and nucleophilic character of Cp (N = 3.36 eV). Additionally, molecular mechanism of considered reactions is substantially different from the DA reactions between Cp and simple alkenes.
- Record ID
- CUTb4d0306f0dfd4bdc97d9f5042a497568
- Publication categories
- ;
- Author
- Journal series
- Journal of Fluorine Chemistry, ISSN 0022-1139, e-ISSN 1873-3328
- Issue year
- 2018
- Vol
- 206
- Pages
- 1-7
- Other elements of collation
- schem.; tab.; Bibliografia (na s.) - 6-7; Bibliografia (liczba pozycji) - 50; Oznaczenie streszczenia - Abstr.; Data udostępnienia on-line - 2017-12-08; Numeracja w czasopiśmie - Vol. 206
- Keywords in English
- cycloaddition, Diels-Alder reaction, nitroalkenes
- DOI
- DOI:10.1016/j.jfluchem.2017.12.008 Opening in a new tab
- URL
- https://www.sciencedirect.com/science/article/pii/S0022113917304359 Opening in a new tab
- Language
- eng (en) English
- Score (nominal)
- 30
- Additional fields
- Indeksowana w: Web of Science, Scopus
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUTb4d0306f0dfd4bdc97d9f5042a497568/
- URN
urn:pkr-prod:CUTb4d0306f0dfd4bdc97d9f5042a497568
* presented citation count is obtained through Internet information analysis, and it is close to the number calculated by the Publish or PerishOpening in a new tab system.