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[Ni(P t Bu) 6 ] and [Ni(SiH 2 ) 6 ] Are Isolobal, Related to [In{Mn(CO) 4 } 5 ] 2− , and Have 16‐Electron Counts
Author(s) -
Tang Huang,
Hoffman David M.,
Albright Thomas A.,
Deng Haibin,
Hoffmann Roald
Publication year - 1993
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.199316161
Subject(s) - crystallography , ab initio , hexagonal crystal system , planar , electronic structure , ab initio quantum chemistry methods , metal , materials science , chemistry , computational chemistry , molecule , computer science , metallurgy , computer graphics (images) , organic chemistry
Many more complexes with metal centers in a hexagonal‐planar or pentagonalplanar environment are conceivable. Ab initio calculations show that the D 6h symmetrical structure of 3 and the D 5h symmetrical structure of the related complex [Ni(SiH 2 ) 5 ], which are isolobal with 2 and 1 , respectively, should be particularly stable; the challenge for the synthetic chemist is evident.