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Coinage Metal Halide Clusters: From Two‐Dimensional Ring to Three‐Dimensional Solid‐State‐Like Structures
Author(s) -
Krawczyk Robert P.,
Hammerl Anton,
Schwerdtfeger Peter
Publication year - 2006
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200600452
Subject(s) - halide , cluster (spacecraft) , ring (chemistry) , chemistry , solid state , transition metal , crystallography , metal , gold cluster , chemical physics , electronic structure , computational chemistry , inorganic chemistry , organic chemistry , computer science , programming language , catalysis
Transition to the solid state: Quantum chemical calculations show that the change from the 2D ring to the compact 3D bulklike structure (see figure) for the group 11 halides occurs at a cluster size equal to six, (MX) 6 (M=Cu, Ag, and Au; X=F, Cl, Br, and I), with the exception of gold where relativistic effects lead to the well‐known zig‐zag chains for solid gold halides.