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A comparison of the bonding in Cr(NO)4 and Ni(CO)4The bonding in Cr(NO)4 is very ionic, with about 1.5 electrons donated from the Cr to the NO 2pi orbitals. There is also a NO sigma donation of about 0.5 electrons to the Cr, yielding a net charge of Cr of about 1. A large MCSCF expansion is needed to describe both the ionic and covalent contributions to the Cr 3d-NO 2pi bonding. This bonding is compared to that in the isoelectronic Ni(CO)4.
Document ID
19870026934
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
doi:10.1063/1.451831
Authors
Bauschlicher, C. W., Jr. (NASA Ames Research Center Moffett Field, CA, United States)
Siegbahn, P. E. M. (Stockholm, Universitet Sweden)
Date Acquired
August 13, 2013
Publication Date
September 1, 1986
Publication Information
Publication: Journal of Chemical Physics
Volume: 85
ISSN: 0021-9606
Subject Category
Inorganic And Physical Chemistry
Accession Number
87A14208
Distribution Limits
Public
Copyright
Other

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