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Title: Sulfur-substituted derivatives of the octa-. mu. /sub 3/-chloro-hexamolybdenum(4+) cluster unit. Synthesis and structure of two salts containing the hexachlorohepta-. mu. /sub 3/-chloro-. mu. /sub 3/-sulfido-hexamolybdenum(3-) anion

Journal Article · · Inorg. Chem.; (United States)
DOI:https://doi.org/10.1021/ic00135a032· OSTI ID:5262116

A synthetic procedure has been devised for stepwise displacement of chloride by sulfide in the Mo/sub 6/Cl/sub 8//sup 4 +/ cluster via reaction of Mo/sub 6/Cl/sub 12/ with NaSH in refluxing pyridine. The (Mo/sub 6/Cl/sub 7/S)/sup 3 +/ cluster has been isolated in two different salts containing the chloro anion ((Mo/sub 6/Cl/sub 7/S)Cl/sub 6/)/sup 3 -/, and the structures have been determined by x-ray diffraction. (C/sub 5/H/sub 5/NH)/sub 3/((Mo/sub 6/Cl/sub 7/S)Cl/sub 6/) (I) crystallizes in the space group P2/sub 1//c with a = 13.469 (4) A, b = 15.329 (3) A, c = 17.115 (5) A, ..beta.. = 107.19 (3)/sup 0/, and Z = 4. With excess pyridinium ion present in solution, the cubic double salt (C/sub 5/H/sub 5/NH)/sub 3/((Mo/sub 6/Cl/sub 7/S)Cl/sub 6/).3(C/sub 5/H/sub 5/NH)Cl (II) is obtained: space group Pa3, with a = 17.158 (2) A and Z = 4. Bond distances obtained after refinement of the two structures indicate sulfide is probably disordered over only two bridging ligand sites in I but over all eight sites in II. Corresponding average bond distances and angles in the two structures are in close agreement. Similarly, infrared spectra for I and II are in good agreement; a band appearing at 423 cm/sup -1/ is assigned to a vibration of predominant Mo-S character. Chlorine 2p photoelectron spectra were resolved into components giving binding energies for bridging, terminal, and ionic chloride in the structures. Relative areas of the component peaks confirm that sulfide must occupy a bridging ligand position in the (Mo/sub 6/Cl/sub 7/S)/sup 3 +/ cluster.

Research Organization:
Ames Lab., IA
DOE Contract Number:
W-7405-ENG-82
OSTI ID:
5262116
Journal Information:
Inorg. Chem.; (United States), Vol. 21:5
Country of Publication:
United States
Language:
English