[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 | Zendy

Tang Huang | Zendy; Hoffman David M. | Zendy; Albright Thomas A. | Zendy; Deng Haibin | Zendy; Hoffmann Roald | Zendy

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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.

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