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OH-transition metal bondingThe bonding in both CuOH and AgOH has a covalent component that leads to a bent structure. The larger electrostatic stabilization in CuOH leads to a larger D(e) (2.83 eV) compared with AgOH (2.20 eV). Using Ni5OH to model chemisorption of OH on a Ni surface, it is found that OH adsorption in the fourfold hollow of Ni(100) leads to an OH normal to the surface, while adsorption directly above a Ni atom leads to a tilted OH. These qualitative Ni5OH calculations allow for speculation on the observed variation of OH on metal surfaces.
Document ID
19870036153
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Bauschlicher, Charles W., Jr.
(NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 13, 2013
Publication Date
January 1, 1986
Publication Information
Publication: International Journal of Quantum Chemistry, Quantum Chemistry Symposium no. 20
ISSN: 0360-8832
Subject Category
Inorganic And Physical Chemistry
Accession Number
87A23427
Distribution Limits
Public
Copyright
Other

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