Structure and bonding in some derivatives of (eta(4)-norbornadiene)Fe(CO)(3)

Authors
Campbell, C McArdle, P Cunningham, D Burke, LA
Citation
C. Campbell et al., Structure and bonding in some derivatives of (eta(4)-norbornadiene)Fe(CO)(3), INORG CH C, 1(11), 1998, pp. 421-423
Citations number
12
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
INORGANIC CHEMISTRY COMMUNICATIONS
ISSN journal
13877003 → ACNP
Volume
1
Issue
11
Year of publication
1998
Pages
421 - 423
Database
ISI
SICI code
1387-7003(199811)1:11<421:SABISD>2.0.ZU;2-N
Abstract
Density functional calculations suggest that the 2,3-dicyano derivative of (eta(4)-C7H8)Fe(CO)(3), C7H8 = norbomadiene, has trigonal bipyramidal groun d and transition states with an energy barrier to CO exchange of 5.4 kcal/m ol. In contrast the crystal structure of (eta(4)- C7H6(CO2Et)(2))Fe(CO)P(OE t)(3)PPh3 has square pyramidal geometry. (C) 1998 Elsevier Science S.A. All rights reserved.