Journal
INORGANICA CHIMICA ACTA
Volume 362, Issue 13, Pages 4843-4848Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2009.06.040
Keywords
Band structure; Coordination polymers; Crystal structure; Luminescence; Magnetic properties
Categories
Funding
- NSF of China [20801026]
- NSF for Distinguished Young Scientist of China [20425104]
- NSF of Jiangxi Province [2008GQC0036]
- Aviation Science Foundation of china [2008ZF56012]
- Jiangxi Provincial Department of Education [GJJ09486]
- [2009CB939801]
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A 1D coordination polymer, {[Cu-3(C7H2NO5)(2)(H2O)(7)]center dot 2(H2O)}(n) (1), has been synthesized and characterized by X-ray single-crystal diffraction. The crystal structure of 1 features that distorted square-pyramidal coordination polyhedra composed of Cu atoms and chelidamic acid ligands are interlinked into a 1D polymer, further linked by hydrogen bonds into a 3D network. The optical properties were investigated in terms of diffuse reflectance and fluorescent spectra, which exhibit strong luminescence. The electronic band structure along with the density of states (DOSs) calculated by the DFT method indicate that compound 1 pose an energy band gap of 1.89 eV and that the origin of the emission band may be mainly ascribed to metal-to-ligand charge transfer (MLCT) where the electrons are transferred from the Cu-3d to O-2p and C-2p states. (C) 2009 Elsevier B. V. All rights reserved.
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