Aspects of metal-metal bonding in early-transition-metal dioxides Academic Article

abstract

• A theoretical investigation of metal-metal-bonded clusters and extended networks within dioxide frameworks is presented. In particular, we examine metal-metal bonding and the influence exerted by the oxide "matrix" within hollandites, octahedral layers, and trigonal-prismatic layers. For d2-d2-5 hollandite systems, distortions of zigzag Mo chains are coupled to interactions with trigonal-planar oxides that stitch the double chains of the structure together. Zigzag chains embedded within Cdl2-like layers are stable for electron counts at which one would expect discrete clusters within a hollandite framework. As in chalcogenides, trigonal-prismatic transition-metal dioxide layers are expected to be most stable for d2 metals. The stability of the trigonal-prismatic layer compounds LiNbO2 and NaNbO2 is understandable as compared with octahedral alternatives and as compared with distorted variants of the trigonal-prismatic structure. 1985, American Chemical Society. All rights reserved.

authors

• Hughbanks, Timothy

published proceedings

• Inorganic Chemistry

author list (cited authors)

• Burdett, J. K., & Hughbanks, T.

citation count

• 44

complete list of authors

• Burdett, Jeremy K||Hughbanks, Timothy

publication date

• January 1985

publisher

• American Chemical Society (ACS)  Publisher

published in

• Inorganic Chemistry  Journal

Digital Object Identifier (DOI)

• 10.1021/ic00206a006

start page

• 1741

end page

• 1750

volume

• 24

issue

• 12

URL

• http%3A%2F%2Fdx.doi.org%2F10.1021%2Fic00206a006