Molybdenum-carbonyl complex geometry

All three members of the electron transfer chain [Mo(CO)2(S2C2Me2)]" (n = 0,1, 2) were isolated and characterized. The complexes have trigonal prismatic geometries, and structural, spectral, and electrochemical properties that are consistent with the redox orbital having predominantly sulfur-ligand based character (>80%) behavior consistent also with DFT calculations. Closely related benzene- and 2,4-di-i-butyl-benzene-dithiolene complexes, [Mo(LL )(bdt)2] (L = 0, L = PPha, L = L = PMeR2 (R = Me or Ph)) were obtained by thioether S-dealkylation of appropriate dttd (22) complexes of molybdenum carbonyls and oxo species. 

The X-ray crystal structure of [ MoCl(CO)2(dppmSe) 2][Mo6019] 4MeN02 was reported in 1988224 by Colton et al. The molybdenum is seven-coordinate with a slightly distorted capped octahedral geometry, with a carbonyl ligand in the unique capping position. In 1991, the molecular structure of the dibromo complex [MoBr2(CO)2(i71-dppm)(7j2-dppm)] was reported.225... 

Copper(I) complexes show a lamellar structure not conclusively assigned [175]. Liquid crystalline complexes with chromium, molybdenum and tungsten as metallic centers have also been reported. The 1,4,7-trisubstituted 1,4,7-triazacyclononane and three carbonyl groups, 80, are coordinated in an octahedral geometry. 

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