Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 113, Issue 24, Pages 8227-8230Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp902599b
Keywords
-
Categories
Funding
- Ministry of Education, Culture, Sports, -Science and Technology (MEXT) Japan [452-20031014, 461, 19350010, 20550013]
- Grants-in-Aid for Scientific Research [19350010] Funding Source: KAKEN
Ask authors/readers for more resources
The Diels-Alder reaction of cyclopentadinene (CP) with methyl acrylate (MA) in room-temperature ionic liquids (RTILs) is theoretically examined. In the present study, quantum molecular orbital theory is combined with a multicomponent reference interaction site model (RISM). Because RISM is free from statistical error, it is possible to overcome the serious difficulty in the description of the strong Coulombic interaction in RTILs. We focused on the origin of the relatively moderate solvation effects of RTILs and the mechanism of endo-exo selectivity.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
