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