Square Planar to Rectangular Distortion in Transition-Metal Compounds of Edge-Sharing Square Planar UnitsMX4

N. Gupta; D. K. Seo; M. H. Whangbo; S. Jobic; J. Rouxel; R. Brec

doi:10.1006/jssc.1996.7177

Square Planar to Rectangular Distortion in Transition-Metal Compounds of Edge-Sharing Square Planar UnitsMX₄

N. Gupta, D. K. Seo, M. H. Whangbo, S. Jobic, J. Rouxel, R. Brec

Arizona State University

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

In transition metal compounds of edge-sharing square planarMX₄units (M=group 10, group 11;X=O, S, Se), a square planar to rectangular distortion is observed. The causes for this distortion inMX₂ladder chains,M₃X₄honeycomb layers, and 3DMXlattices were examined by performing extended Hückel tight binding electronic band structure calculations. The primary cause for the distortion is the reduction of the four-electron two-orbital destabilizing interactions among thep-orbitals ofX.

Original language	English
Pages (from-to)	181-184
Number of pages	4
Journal	Journal of Solid State Chemistry
Volume	128
Issue number	2
DOIs	https://doi.org/10.1006/jssc.1996.7177
Publication status	Published - Feb 1 1997

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1006/jssc.1996.7177

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abstract = "In transition metal compounds of edge-sharing square planarMX4units (M=group 10, group 11;X=O, S, Se), a square planar to rectangular distortion is observed. The causes for this distortion inMX2ladder chains,M3X4honeycomb layers, and 3DMXlattices were examined by performing extended H{\"u}ckel tight binding electronic band structure calculations. The primary cause for the distortion is the reduction of the four-electron two-orbital destabilizing interactions among thep-orbitals ofX.",

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AU - Gupta, N.

AU - Seo, D. K.

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AU - Jobic, S.

AU - Rouxel, J.

AU - Brec, R.

PY - 1997/2/1

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