Understanding how ionic liquids impact the Diels-Alder reaction: An AB initio, semiempirical and QM/MM approach

Orlando Acevedo, Josh Plumley, Jeffrey O. Evanseck

Research output: Contribution to journalConference article


The 1-ethyl-3-imidazolium (EMI+) chloroaluminate ionic liquid, which takes advantage of the Lewis acid variability in acidic or basic melts, was studied. The ions that form (AlCl4-, Al2Cl7, and EMI+) and their combinations depended on the proportion of the melt. The Diels-Alder reaction between cyclopentadiene and methyl acrylate was examined using the differing melt ratios to achieve acidic and basic conditions. This is an abstract of a paper presented at the 227th ACS National Meeting (Anaheim, CA 3/28/2004-4/1/2004).

Original languageEnglish (US)
Pages (from-to)COMP-20
JournalACS National Meeting Book of Abstracts
Issue number1
StatePublished - Jan 1 2004
Externally publishedYes
Event227th ACS National Meeting Abstracts of Papers - Anaheim, CA., United States
Duration: Mar 28 2004Apr 1 2004


ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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