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Transition metal oxides - CrO, MoO, NiO, PdO, AgOThe transition-metal oxides are quite ionic; Mulliken population analyses for several oxides give a negative charge of about 0.7 electrons for oxygen. When the transition-metal d shell is only partially filled, the orbitals are involved in covalent bonds with O; both two-electron bonding (2)-antibonding (0) and one-electron bonding (2)-antibonding (1) bonds are formed. These covalent bonds occur in addition to the ionic bonding. There is d-sigma-O2 p sigma repulsion, and this repulsion is reduced when the d-sigma electron is promoted into an orbital which has dominantly 4sp-sigma character and is polarized away from O.
Document ID
19850050086
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Bauschlicher, C. W., Jr.
(NASA Ames Research Center Moffett Field, CA, United States)
Nelin, C. J.
(Analatom, Inc. Sunnyvale, CA; Polyatomic Research Institute, Mountainview, CA, United States)
Bagus, P. S.
(IBM Research Laboratory San Jose, CA, United States)
Date Acquired
August 12, 2013
Publication Date
April 1, 1985
Publication Information
Publication: Journal of Chemical Physics
Volume: 82
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
85A32237
Distribution Limits
Public
Copyright
Other

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