화학공학소재연구정보센터
Journal of the American Chemical Society, Vol.129, No.19, 6249-6254, 2007
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 mu(B)/molecule, slightly smaller than the 1.215 +/- 0.02 mu(B)/molecule for the larger size copper spin-(1)/(2) system C36H48N4O4Cu center dot 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.