V. B. Orel, N. M. Vitkovskaya, D. Z. Absalyamov, E. Yu. Schmidt, B. A. Trofimov, “Quantum chemical comparison of ethynylation and C-vinylation routes in superbase catalyzed reaction of acetylenes with imines”, Mendeleev Commun., 29:6 (2019), 622

Mendeleev Communications

RUS ENG

JOURNALS PEOPLE ORGANISATIONS CONFERENCES SEMINARS VIDEO LIBRARY PACKAGE AMSBIB

JavaScript is disabled in your browser. Please switch it on to enable full functionality of the website

	General information
	Latest issue
	Archive

	Search papers
	Search references

	RSS
	Latest issue
	Current issues
	Archive issues
	What is RSS

Mendeleev Commun.:
Year:
Volume:
Issue:
Page:
	Find

Personal entry:
Login:
Password:
	Save password
	Enter
	Forgotten password?
	Register

Mendeleev Communications, 2019, Volume 29, Issue 6, Pages 622–624
DOI: https://doi.org/10.1016/j.mencom.2019.11.005 (Mi mendc1608)

This article is cited in 6 scientific papers (total in 6 papers)

Communications

Quantum chemical comparison of ethynylation and C-vinylation routes in superbase catalyzed reaction of acetylenes with imines

V. B. Orel^a, N. M. Vitkovskaya^a, D. Z. Absalyamov^ab, E. Yu. Schmidt^b, B. A. Trofimov^b

^a Department of Chemistry, Irkutsk State University, Irkutsk, Russian Federation
^b A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russian Federation

Full-text PDF (1416 kB) Citations (6) Supplementary materials

DOI: https://doi.org/10.1016/j.mencom.2019.11.005

Graphic abstract: Quantum chemical comparison of ethynylation and C-vinylation routes in superbase catalyzed reaction of acetylenes with imines

Abstract: The kinetic (free activation energies) and thermodynamic factors, which ensure mild conditions for the ethynylation of imines with acetylenes, have been established by quantum chemical calculations using B2PLYP/6-311+G**//B3LYP/6-31+G*. According to the calculations, the alternative route of superbase catalyzed C-vinylation requires harsher reaction conditions as compared to the ethynylation one.

Bibliographic databases:

Document Type: Article

Language: English

*Supplementary materials:*
		Supplementary_data_1.pdf	(668.0 Kb)

Citation: V. B. Orel, N. M. Vitkovskaya, D. Z. Absalyamov, E. Yu. Schmidt, B. A. Trofimov, “Quantum chemical comparison of ethynylation and C-vinylation routes in superbase catalyzed reaction of acetylenes with imines”, Mendeleev Commun., 29:6 (2019), 622–624

Linking options:

https://www.mathnet.ru/eng/mendc1608

https://www.mathnet.ru/eng/mendc/v29/i6/p622

This publication is cited in the following 6 articles:

Citing articles in Google Scholar: Russian citations, English citations
Related articles in Google Scholar: Russian articles, English articles

Registration to the website

Logotypes