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EPR spectrum of Fe(CO)/sup -//sub 5/ in a single crystal of Cr(CO)/sub 6/

Journal Article · · J. Chem. Phys.; (United States)
OSTI ID:6595141

An anisotropic EPR spectrum observed at 20 K in ..gamma..-irradiated single crystals of Cr(CO)/sub 6/ doped with Fe(CO)/sub 5/ is ascribed to the radical anion Fe(CO)/sup -//sub 5/. Measurements of the g-, /sup 57/Fe-, and /sup 13/C-hyperfine tensors clearly show that the species is an acyl radical Fe(CO)/sup -//sub 4/CO in which the unpaired spin is principally located in Fe 3d/sub z//sup 2/ or 3d/sub x//sup 2/-/sub y//sup 2/ and in an sp/sup 2/ hybrid of the unique carbon atom C(1). The Fe--C(1)-O(1) moiety is bent and its plane lies close to the ac crystallographic plane of Cr(CO)/sub 6/.

Research Organization:
Division of Chemistry, National Research Council of Canada, Ottawa, Canada K1A 0R6
OSTI ID:
6595141
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 77:12; ISSN JCPSA
Country of Publication:
United States
Language:
English