Quantum chemical studies of mechanisms of organic reactions: VI. Reaction of ethane-1,2-dithiol with vinylidene chloride
- 作者: Chirkina E.A.1, Levanova E.P.1, Krivdin L.B.1
-
隶属关系:
- Favorskii Irkutsk Institute of Chemistry, Siberian Branch
- 期: 卷 53, 编号 7 (2017)
- 页面: 986-994
- 栏目: Article
- URL: https://bakhtiniada.ru/1070-4280/article/view/216510
- DOI: https://doi.org/10.1134/S1070428017070053
- ID: 216510
如何引用文章
详细
A theoretical mechanism has been proposed for the reaction of vinylidene chloride with ethane-1,2-dithiol in the system hydrazine hydrate–potassium hydroxide on the basis of DFT quantum chemical calculations at the B3LYP/6-311++G(d,p) level of theory. The reaction includes two consecutive stages: dehydrochlorination of vinylidene chloride to chloroacetylene and nucleophilic addition of one thiol group of ethane-1,2-dithiol to the β-carbon atom of chloroacetylene, followed by closure of 2,3-dihydro-1,4-dithiine ring via nucleophilic substitution of chlorine by sulfur atom of the second thiol group.
作者简介
E. Chirkina
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
编辑信件的主要联系方式.
Email: chirkina_ea@mail.ru
俄罗斯联邦, ul. Favorskogo 1, Irkutsk, 664033
E. Levanova
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: chirkina_ea@mail.ru
俄罗斯联邦, ul. Favorskogo 1, Irkutsk, 664033
L. Krivdin
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: chirkina_ea@mail.ru
俄罗斯联邦, ul. Favorskogo 1, Irkutsk, 664033
补充文件
