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Empty Octahedral Hexazirconium Clusters with Only Ten Electrons, [Zr 6 X 14 (PR 3 ) 4 ]
Author(s) -
Cotton F. Albert,
Feng Xuejun,
Shang Maoyu,
Wojtczak William A.
Publication year - 1992
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199210501
Subject(s) - octahedron , crystallography , halogen , cluster (spacecraft) , atom (system on chip) , chemistry , crystal structure , organic chemistry , computer science , programming language , embedded system , alkyl
No interstitial atom is found in the Zr 6 octahedron of the [Zr 6 X 14 (PR 3 ) 4 ] cluster 1 (X = Cl, Br; R = Me, Et, Pr) according to the results of NMR studies, SCF‐Xα‐SW‐MO calculations, and X‐ray crystallography (structure here for X = Cl, R = Me, phosphane ligands omitted). In all the clusters examined, four terminal PR 3 ligands are bound to the Zr atoms in the equatorial plane, two halogen atoms cap the axial Zr atoms, and all the edges of the octahedron are bridged by halogen atoms. Cluster 1 is synthesized by the reduction of ZrX 4 with ( n C 4 H 9 ) 3 SnH followed by addition of phosphane.