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Carbon dioxide chemistry. Synthesis, properties, and structural characterization of the stable bis(carbon dioxide) adducts of molybdenum

Journal Article · · J. Am. Chem. Soc.; (United States)
DOI:https://doi.org/10.1021/ja00269a026· OSTI ID:5583952

The bis(carbon dioxide) adduct, trans-Mo(CO/sub 2/)/sub 2/(PMe/sub 3/)/sub 4/, 1, has been prepared from the reaction of cis-Mo(N/sub 2/)/sub 2/(PMe/sub 3/)/sub 4/ with CO/sub 2/ under pressure (4-5 atm). The interaction of 1 with several small molecules has been studied. In particular, reaction with COS affords a seven-coordinate S,S'-dithiocarbonate, Mo(S/sub 2/CO)(CO)/sub 2/(PMe/sub 3/)/sub 3/, 2, while interaction with various isocyanides yields the new carbon dioxide complexes trans,mer-Mo(CO/sub 2/)/sub 2/(CNR)(PMe/sub 3/)/sub 3/, 3 (R = Me, 3a; i-Pr, 3b; t-Bu, 3c; Cy, 3d; CH/sub 2/C/sub 6/H/sub 5/, 3e). The new compounds have been characterized by analytical and spectroscopic (IR and /sup 1/H, /sup 13/C, and /sup 31/P NMR) studies. The molecular structures of 2, 3b, and 3e have been determined by x-ray crystallography. Compound 2 is orthorhombic and belongs to the space group Pna2/sub 1/ with a = 14.003 (2) A, b = 9.767 (2) A, c = 15.127 (2) A, D/sub c/ = 1.52 g cm/sup -3/, and Z = 4. 3b crystallizes in the monoclinic space group C2/c with unit cell parameters a = 24.47 (3) A, b = 13.01 (1) A, c = 16.77 (1) A, ..beta.. = 132.41 (3)/sup 0/, and D/sub c/ = 1.35 g cm/sup -3/ for Z = 8. Crystals of 3e are monoclinic, space group P2/sub 1//c with a = 11.563 (8) A, b = 11.792 (7) A, c = 18.57 (1) A, ..beta.. = 90.42 (4)/sup 0/, D/sub c/ = 1.39 g cm/sup -3/, and Z = 4. 3b and 3e are isostructural, with the Mo atom bonded to two trans, staggered CO/sub 2/ molecules, the overall molecular geometry being approximately octahedral.

Research Organization:
Universidad de Sevilla, Spain
OSTI ID:
5583952
Journal Information:
J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 108:9; ISSN JACSA
Country of Publication:
United States
Language:
English