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: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

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)
Title of host publicationACS National Meeting Book of Abstracts
Volume227
Edition1
StatePublished - 2004
Externally publishedYes
Event227th ACS National Meeting Abstracts of Papers - Anaheim, CA., United States
Duration: Mar 28 2004Apr 1 2004

Other

Other227th ACS National Meeting Abstracts of Papers
CountryUnited States
CityAnaheim, CA.
Period3/28/044/1/04

Fingerprint

Cyclopentanes
Ionic Liquids
Lewis Acids
Ions
methyl acrylate

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Acevedo, O., Plumley, J., & Evanseck, J. O. (2004). Understanding how ionic liquids impact the Diels-Alder reaction: An AB initio, semiempirical and QM/MM approach. In ACS National Meeting Book of Abstracts (1 ed., Vol. 227)

Understanding how ionic liquids impact the Diels-Alder reaction : An AB initio, semiempirical and QM/MM approach. / Acevedo, Orlando; Plumley, Josh; Evanseck, Jeffrey O.

ACS National Meeting Book of Abstracts. Vol. 227 1. ed. 2004.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Acevedo, O, Plumley, J & Evanseck, JO 2004, Understanding how ionic liquids impact the Diels-Alder reaction: An AB initio, semiempirical and QM/MM approach. in ACS National Meeting Book of Abstracts. 1 edn, vol. 227, 227th ACS National Meeting Abstracts of Papers, Anaheim, CA., United States, 3/28/04.
Acevedo O, Plumley J, Evanseck JO. Understanding how ionic liquids impact the Diels-Alder reaction: An AB initio, semiempirical and QM/MM approach. In ACS National Meeting Book of Abstracts. 1 ed. Vol. 227. 2004
Acevedo, Orlando ; Plumley, Josh ; Evanseck, Jeffrey O. / Understanding how ionic liquids impact the Diels-Alder reaction : An AB initio, semiempirical and QM/MM approach. ACS National Meeting Book of Abstracts. Vol. 227 1. ed. 2004.
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