Journal of Physical Chemistry p. 183 - 189 (1987)
Update date:2022-08-11
Topics:
Kakumoto, Terumitsu
Ushirogouchi, Toshiaki
Saito, Ko
Imamura, Akira
The isomerization allene <=> propyne has been studied behind shock waves over the temperature range between 1300 and 2100 K and the total density range of (0.6-2.4) x 1E-5 mol/cm3.The isomerization rate was monitoring by means of the IR emission from allene and propyne.It was found that the process proceeded in the fall-off region, and the high-pressure limit rate constants were determined as k1 = 1E14.34 exp<-68.1 kcal mol-1/(RT)> s-1, for the isomerization of allene to propyne, and k-1 = 1E14.14 exp<-69.7 kcal mol-1/(RT)> s-1, for the isomerization of propyne to allene, using the equilibrium constants.Ab initio molecular orbital calculations have also been performed for the isomerization.It was found that the isomerization proceeded in a series of successive reactions via cyclopropene, which has been suggested by Honjou et al. (Honjou, N.; Pacansky, J.; Yoshimine, M.J.Am.Chem.Soc. 1984, 106, 5361).The rate constants estimated in terms of the transition-state theory, k1 = 1E14.23 exp<-66.6 kcal mol-1/(RT)> s-1 and k-1 = 1E14.12 exp<-67.0 kcal mol-1/(RT)> s-1, are consistent with the experimental results.<
View MoreXi'an Galaxy Chemicals CO., Ltd
Contact:86-29-89380370
Address:No.8, Gaoxin three road, Xi'an city.
WUHU HUAHAI BIOLOGY ENGINEERING CO LTD
Contact:+86-553-3836920
Address:7/F NO.82 LAODONG ROAD WUHU CHINA
Nanyang Tianhua pharmaceutical Co.,Ltd.
Contact:+8618639816203
Address:Longsheng Industrial Park
Wuhan Sunrise Pharmaceutical Technology Co., Ltd
Contact:+86-27-83314682
Address:Room 340, New material Industrial base No.17, Gu Tian Five Lu , Qiaokou District, Wuhan , China
Shandong General Materials Co.,Ltd(Shandong Aoertong Chemical Co., Ltd)
Contact:86-531-88072280
Address:No. 1825 Hualong Road, Licheng District, Jinan, Shandong, China
Doi:10.1021/ja0723784
(2007)Doi:10.1246/cl.1994.531
(1994)Doi:10.1002/ejic.201100423
(2011)Doi:10.1134/S1070428013100072
(2013)Doi:10.1016/0022-2860(95)09180-7
(1996)Doi:10.1166/jnn.2017.13820
(2017)