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Infrared spectroscopic studies on the photocatalytic hydrogenation of norbornadiene by group 6 metal carbonyls. 2. The role of the diene and the characterization of (. eta. sup 4 -norbornadiene)(. eta. sup 2 -norbornadiene)M(CO) sub 3 complexes

Journal Article · · Journal of the American Chemical Society; (USA)
DOI:https://doi.org/10.1021/ja00159a052· OSTI ID:7121483
; ; ;  [1]; ;  [2]
  1. Univ. of Nottingham (England)
  2. Max Planck Institut fuer Strahlenchemie, Ruhr (West Germany)

UV laser flash photolysis of M(CO){sub 6} and (NBD)M(CO){sub 4} (NBD = norbornadiene) is used to generate, respectively, the intermediates M(CO){sub 5}(s) (s = n-heptane; M = Cr, Mo, and W) and ({eta}{sup 4}-NBD)M(CO){sub 3}(s) fac and mer isomers; M = Mo and W. Fast ({mu}s) time-resolved IR spectroscopy is then used to measure the rates of reaction of these intermediates with species likely to be components of the catalytic hydrogenation mixture (e.g., H{sub 2}, NBD, CO, etc.). The measurements show that, for a particular intermediate, the rates of reaction with H{sub 2} and NBD are quite similar. Thus, in a typical catalytic reaction mixture, intermediates are more likely to react with NBD than H{sub 2}, because the concentration of NBD is considerably higher than that of H{sub 2}. Fourier-transform IR is used to monitor the carbonyl species present in solution during photocatalytic deuteration at room temperature. These include the previously unknown complexes fac- and mer-({eta}{sup 4}-NBD)({eta}{sup 2}-NBD)M(CO){sub 3}. In the case of W, it is shown that accumulation of mer-({eta}{sup 4}-NBD)({eta}{sup 2}-NBD)W(CO){sub 3} in the solution frustrates the catalytic deuteration (as monitored by the {nu}(C-D) IR bands of the deuterated products). Furthermore, there is a striking wavelength dependence in the catalytic efficiency of the W system. mer-({eta}{sup 4}-NBD)({eta}{sup 2}-NBD)W(CO){sub 3} is sufficiently stable for them to have isolated a sample (ca, 90% purity). {sup 13}C NMR data support the identification of the complex.

OSTI ID:
7121483
Journal Information:
Journal of the American Chemical Society; (USA), Journal Name: Journal of the American Chemical Society; (USA) Vol. 112:3; ISSN 0002-7863; ISSN JACSA
Country of Publication:
United States
Language:
English