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DFT study of the decomposition reactions of nitroethyl benzoates catalyzed by the 1,3-dimethylimidazolium cation
Authors:
- Agnieszka Kącka,
- Radomir Jasiński
Abstract
DFT calculations indicate that the decomposition reaction of nitroethyl benzoates in the presence of 1,3-dimethylimidazolium cation takes place much faster than in the case of the non-catalyzed process. Additionally, our calculations suggest one-step polar mechanism of title reactions.
- Record ID
- CUTfec76e3159f04a3a8dc5b578c6b2b9ed
- Publication categories
- ;
- Author
- Journal series
- Current Chemistry Letters, ISSN 1927-7296, e-ISSN 1927-730X
- Issue year
- 2017
- Vol
- 6
- No
- 1
- Pages
- 15-22
- Other elements of collation
- rys.; tab.; wykr.; Bibliografia (na s.) - 20-22; Bibliografia (liczba pozycji) - 48; Oznaczenie streszczenia - Abstr.; Numeracja w czasopiśmie - Vol. 6, Iss. 1
- Keywords in English
- thermal elimination, quantum chemical study, nitroalkenes
- DOI
- DOI:10.5267/j.ccl.2016.11.001 Opening in a new tab
- URL
- http://growingscience.com/beta/journal/ccl/volume/6/issue/1 Opening in a new tab
- Language
- eng (en) English
- License
- Score (nominal)
- 10
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUTfec76e3159f04a3a8dc5b578c6b2b9ed/
- URN
urn:pkr-prod:CUTfec76e3159f04a3a8dc5b578c6b2b9ed
* 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.