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Title: Infrared spectroscopic studies on the photocatalytic hydrogenation of norbornadiene by group 6 metal carbonyls. 1. The role of H sub 2 and the characterization of nonclassical dihydrogen complexes, (. eta. sup 4 -norbornadiene)M(CO) sub 3 (. eta. sup 2 -H sub 2 )

Journal Article · · Journal of the American Chemical Society; (USA)
DOI:https://doi.org/10.1021/ja00159a051· OSTI ID:7121485
; ; ;  [1];  [2]
  1. Univ. of Nottingham (England)
  2. Max Planck Institute fuer Strahlenchemie, Muelheim (West Germany)

This paper describes the IR characterization of nonclassical H{sub 2} complexes where ethene or norbornadiene (NBD) is coordinated to the same d{sup 6} metal center as the {sup eta}{sup 2}-H{sub 2} and discusses the role of such complexes in the photocatalytic hydrogenation of NBD by group 6 metal carbonyl compounds. The dihydrogen complexes are generated in solution by the photolysis of alkene and diene carbonyl complexes in the presence of an overpressure of H{sub 2} or D{sub 2}. Photolysis of trans-(C{sub 2}H{sub 4}){sub 2}M(CO){sub 4} (M = Cr, Mo, and W) (1) in liquefied xenon (LXe) doped with H{sub 2} or D{sub 2} at {minus}90{degree}C leads to the formation of mer-(C{sub 2}H{sub 4}){sub 2}M(CO){sub 3}(H{sub 2}) (2) (with trans C{sub 2}H{sub 4} groups) and cis-(C{sub 2}H{sub 4})M(CO){sub 4}(H{sub 2}) (3). These species have been characterized by FTIR, and the v(H-H) IR band of the coordinated {eta}{sup 2}-H{sub 2} has been detected for the W complexes. All of these compounds react thermally with N{sub 2} to yield the corresponding dinitrogen complexes. Fast (microsecond) time-resolved IR (TRIR) is used to identify fac- and mer-(NBD)M(CO){sub 3}(n-hept) as the primary photoproducts of the photolysis of (NBD)M(CO){sub 4} (M = Cr, Mo, and W) in n-heptane at room temperature. Detailed studies with Mo show that these intermediates react stereospecifically with N{sub 2} and H{sub 2} to give fac- and mer-(NBD)Mo(CO){sub 3}(X{sub 2}X{sub 2} - N{sub 2} and H{sub 2}). These species can also be generated in LXe by photolysis of either (NBD)Mo(CO){sub 4} or mer-NBD(Mo(CO){sub 3}(C{sub 2}H{sub 4})). In addition, photolysis of (NBD)M(CO){sub 4} (M = Mo or W) in LXe yields products apparently containing {eta}{sup 2}-NBD, which are not observed in the photolysis at room temperature, probably as a result of differences in temperature and photolysis sources.

OSTI ID:
7121485
Journal Information:
Journal of the American Chemical Society; (USA), Vol. 112:3; ISSN 0002-7863
Country of Publication:
United States
Language:
English