Modelling chemical reactivity in Diels-Alder cycloaddition reactions of heteroacyl-1,4-benzoquinones - A semiempirical (AM1) computational study

Authors
Pardasani, RT Pardasani, P Agrawal, MM Mathur, G
Citation
Rt. Pardasani et al., Modelling chemical reactivity in Diels-Alder cycloaddition reactions of heteroacyl-1,4-benzoquinones - A semiempirical (AM1) computational study, I J CHEM B, 40(6), 2001, pp. 518-521
Citations number
10
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY
ISSN journal
03764699 → ACNP
Volume
40
Issue
6
Year of publication
2001
Pages
518 - 521
Database
ISI
SICI code
0376-4699(200106)40:6<518:MCRIDC>2.0.ZU;2-S
Abstract
A semiempirical (AM1) computational study on the modelling of a number of m odel heteroacyl-1,4-benzoquinones with a selected set of dienes, viz. elect ron-rich dienes like isoprene and 2,3-dimethyl-1,3-butadiene and electron-d eficient diene, like perchloro-1,3-butadiene is described.