Electronic structure of a metal-organic copper spin-1/2 molecule: bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II).
J Am Chem Soc
; 129(19): 6249-54, 2007 May 16.
Article
em En
| MEDLINE
| ID: mdl-17455933
ABSTRACT
The metal-organic molecule bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) (Cu(CNdpm)2) (C24H36N2O4Cu, Cu(II)) is a copper spin-1/2 system with a magnetic moment of 1.05 +/- 0.04 muB/molecule, slightly smaller than the 1.215+/-0.02 muB/molecule for the larger size copper spin-1/2 system C36H48N4O4Cu.C4H8O (bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) 4,4'-bipyridylethene-THF). There is generally good agreement between photoemission from vapor-deposited thin films of the C24H36N2O4Cu on Cu(111) and Co(111) and model calculations. Although this molecule is expected to have a gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital, the molecule remains surprisingly well screened in the photoemission final state.
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01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Am Chem Soc
Ano de publicação:
2007
Tipo de documento:
Article
País de afiliação:
Estados Unidos