Journal of Physical Chemistry p. 3511 - 3513 (1995)
Update date:2022-09-26
Topics:
Neumann, Frank
Jug, Karl
The mechanism of the photochemical 1,3-cycloaddition of ethene to benzene was investigated by the semiempirical MO method SINDO1.The relevant first excited singlet potential energy hypersurface was studied, and intermediates and transition structures were optimized with limited configuration interaction (CI).Two different reaction pathways proposed by experimentalists were compared.From the calculated barriers, a mechanism which involves a prefulvene structure is favored, whereas a simultaneous 1,3-cycloaddition via an exciplex mechanism seems most unlikely.
View MoreJiangsu Willing Bio-Tech Co ltd
website:http://www.willingbio.com/
Contact:+86 18796908173
Address:No 18 Guoqiao Road
ShanDong XinDa Chemical CO.,LTD(expird)
Contact:086-0311-87580543
Address:No.168, High Technology Development Zone Jinan Shandong China
Hunan Zhongqi Pharmaceutical Co., Ltd
website:http://www.hnzqzy.com
Contact:0730-8722288 13807308622
Address:Wanjiafan Road ,Yueyang Economic And Technological Development Zone ,Hunan,PRC
Tengzhou Runlong Fragrance Co., Ltd.
website:http://www.tzrunlong.com/
Contact:--
Address:No. 78, Fushan Road, Biomedical Industrial Park, Dawu Town, Tengzhou, Shandong, 277514 China
Wuhan Chemwish Technology Co., Ltd
website:http://www.chemwish.com/
Contact:+86-27-67849912
Address:Room 1311, Unit 2, Block1, Innovation Road East Lake High-tech Development Zone Wuhan, Hubei，P.R. China
Doi:10.1016/j.jcat.2006.04.027
(2006)Doi:10.1139/V06-025
(2006)Doi:10.1039/CT9079100372
(1907)Doi:10.1055/s-2006-939041
(2006)Doi:10.1016/j.bmc.2006.07.052
(2006)Doi:10.1016/j.inoche.2006.01.006
(2006)
