title: Electronic structure of a metal-organic copper spin-1/2 molecule: bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II).
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.
authors: Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, Nebraska 68588-0111, USA.
authors: David
authors: D
authors: Wisbey
authors: Danqin
authors: D
authors: Feng
authors: Marshall T
authors: MT
authors: Bremer
authors: Camelia N
authors: CN
authors: Borca
authors: Anthony N
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authors: Caruso
authors: Carter M
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authors: Silvernail
authors: John
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authors: Belot
authors: Elio
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