D. Reinen et Ma. Hitchman, THE INTERPLAY OF HIGHER-ORDER VIBRONIC COUPLING AND HOST-LATTICE STRAIN IN THE E-2(G) GROUND-STATE OF COPPER(II) ELONGATED OR COMPRESSED OCTAHEDRA, Zeitschrift für physikalische Chemie, 200, 1997, pp. 11-19
Citations number
18
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
The coordination geometry of Cu2+ doped into the octahedral sites of s
olid materials may vary between tetragonally elongated and compressed,
very often superimposed by distinct orthorhombic distortion component
s. The geometric deviation from the otherwise preferred D-4h elongatio
n can be traced back to the presence of host site strains due to elast
ic lattice properties or tiny distortions of the host polyhedra. Vario
us examples are discussed on the basis of a simple and a more sophisti
cated (including dynamic features) vibronic coupling model.