THE CONFORMATIONAL DYNAMICS OF DICARBONYLCYCLOPENTADIENYL(2-OXOPROPYL)IRON(II) - AN INFRARED AND MOLECULAR MECHANICS STUDY

Authors
DEGRACE SA BERRY SW MACKIE SC
Citation
Sa. Degrace et al., THE CONFORMATIONAL DYNAMICS OF DICARBONYLCYCLOPENTADIENYL(2-OXOPROPYL)IRON(II) - AN INFRARED AND MOLECULAR MECHANICS STUDY, Journal of organometallic chemistry, 560(1-2), 1998, pp. 63-68
Citations number
25
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Inorganic & Nuclear
Journal title
Journal of organometallic chemistry → ACNP
ISSN journal
0022328X
Volume
560
Issue
1-2
Year of publication
1998
Pages
63 - 68
Database
ISI
SICI code
0022-328X(1998)560:1-2<63:TCDOD>2.0.ZU;2-P
Abstract
The conformational dynamics of dicarbonylcyclopentadienyl(2-oxopropyl) iron(II) have been examined using FT-IR and can be attributed to the r otational freedom about the Fe-C-alpha and C-alpha-C-oxo bonds. C-13-C O labelling experiments were used to identify the major conformer in a n n-pentane solution of the compound. The dynamic processes were model led using the molecular mechanics force field MMX and the results of w hich corroborate the spectroscopic evidence. (C) 1998 Elsevier Science S.A. All rights reserved.