CONFORMATIONS OF (ETA(3)-CYCLOHEXENYL)PALLADIUM SYSTEMS - A MOLECULARMECHANICS (MM2) STUDY

Authors
AKERMARK B OSLOB JD NORRBY PO
Citation
B. Akermark et al., CONFORMATIONS OF (ETA(3)-CYCLOHEXENYL)PALLADIUM SYSTEMS - A MOLECULARMECHANICS (MM2) STUDY, Organometallics, 14(4), 1995, pp. 1688-1693
Citations number
26
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Inorganic & Nuclear
Journal title
Organometallics → ACNP
ISSN journal
02767333
Volume
14
Issue
4
Year of publication
1995
Pages
1688 - 1693
Database
ISI
SICI code
0276-7333(1995)14:4<1688:CO(S-A>2.0.ZU;2-X
Abstract
The primary products from palladium(II)-assisted nucleophilic addition to 1,4-cyclohexadienes ((eta(3)-cyclohexenyl)palladium complexes) hav e been investigated by molecular mechanics (MM2). The observed couplin g constants can best be explained by a rapid equilibrium between chair - and boatlike conformations. Methods to estimate the relative amounts of the boat and chair conformations of the complexes are presented.