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Theoretical and Synthetic Studies on [Zn 2 (η 5 ‐C 5 Me 5 ) 2 ]: Analysis of the ZnZn Bonding Interaction
Author(s) -
del Río Diego,
Galindo Agustín,
Resa Irene,
Carmona Ernesto
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200462175
Subject(s) - zinc , content (measure theory) , chemistry , density functional theory , zinc compounds , atomic orbital , computational chemistry , crystallography , physics , nuclear physics , mathematics , organic chemistry , mathematical analysis , electron
More than 1 g of the dizinc compound [Zn 2 (η 5 ‐C 5 Me 5 ) 2 ] can be readily obtained in a single preparation. Density functional calculations reveal that the ZnZn bond is relatively strong and derives mainly from interaction between the Zn 4 s orbitals (see picture).
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