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Effect of substituent groups on the interaction of benzene with Ni(111)

Journal Article · · Langmuir; (USA)
OSTI ID:7201313

The adsorption and reaction of aniline, phenol, methoxybenzene, benzonitrile, chlorobenzene, nitrosobenzene, nitrobenzene, and benzaldehyde were studied on Ni(111) groups to elucidate the role of substituent groups in adsorption and reaction of substituted benzenes. Temperature-programmed reaction (TPR) and reflection absorption infrared spectroscopy were used to characterize modes of bonding and reaction paths. The absorption bonds were also modeled by using the semiempirical intermediate neglect of differential overlap technique (INDO) with a 19 nickel atom cluster having the symmetry of the (111) surface.

OSTI ID:
7201313
Journal Information:
Langmuir; (USA), Journal Name: Langmuir; (USA) Vol. 5:6; ISSN LANGD; ISSN 0743-7463
Country of Publication:
United States
Language:
English