Investigation of the reaction product of 1,4,7,10-tetraphenyl-cyclododecahexa-1,2,3,7,8,9-ene with dodecacarbonyl-triiron by X-ray diffraction and MS: comparative structural study of the hexacarbonyl-mu(2)-(1 eta(2)-1,2-ene-2 eta(3)-3,4,5-allyl-1 sigma(1)-5)diiron(Fe-Fe) system

Reaction of dodecacarbonyl-triiron with the 12-membered bis(butatriene) res ults in phenyl ring metallation and an intramolecular crosslinking of the m acrocycle with the formation of a system of three condensed rings. The cent ral core of the complex is formed by Fe-2(CO)(6) unit bridged by an organic ligand which is eta(3):eta(1)-bonded by the pi-allylic system and eta(2)-b onded by the olefinic group. The molecular structure of the complex was det ermined by X-ray diffraction. Differences in fragmentation patterns in MS ( EI and LSIMS) were examined. Comparative studies of the geometry of the com plex obtained and a series of compounds with isostructural core have been c arried out. (C) 1999 Elsevier Science S.A. All rights reserved.