These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: A theoretical analysis of a Diels-Alder reaction in ionic liquids.
    Author: Hayaki S, Kido K, Yokogawa D, Sato H, Sakaki S.
    Journal: J Phys Chem B; 2009 Jun 18; 113(24):8227-30. PubMed ID: 19463005.
    Abstract:
    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.
    [Abstract] [Full Text] [Related] [New Search]