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The Molecular and Crystal Structure of Photochemically Formed 1‐H 1 : 1,2‐H 2 ‐Trans‐2‐Bromovinyl‐μ‐Bromobis(Tricarbonyliron) (Fe‐Fe) A Carbonyliron‐π‐Complex of the 1‐Ferra‐Allylic System
Author(s) -
Krüger C.,
Tsay Y. H.,
Grevels F. W.,
Von Gustorf E. Koerner
Publication year - 1972
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.197200026
Subject(s) - chemistry , diffractometer , allylic rearrangement , crystallography , ligand (biochemistry) , octahedron , stereochemistry , crystal structure , organic chemistry , catalysis , biochemistry , receptor
The molecular structure of 1‐h 1 : 1,2‐h 2 ‐ trans ‐2‐bromovinyl‐ μ ‐bromo‐bis(tricarbonyliron) (Fe‐Fe), Fe 2 Br 2 C 8 O 6 H 2 , has been determined from 1970 absorption‐corrected diffractometer intensity data by Patterson and Fourier methods and refined anisotropically by least‐squares methods to a final R‐value of 6.07%, including anomalous‐dispersion corrections. The molecular framework consists of two distorted octahedral Fe(CO) 3 moieties linked together by a slightly asymmetric bromine bridge, an Fe‐Fe bridge (2.525 Å) and a π ‐bonded bromovinyl group. The bonding features of the organic ligand suggest the formation of a 1‐ferra‐ π ‐allyl system. Within the irontricarbonyl fragments, strong trans effects are observed. Cell data are: a = 9.373(4) b = 23.716(12) c = 6.671(4) Å β = 113.96(4)°, Z = 4. Space group Cc (No. 9). A mechanism for the formation of the compound is suggested.