Journal
JOURNAL OF LUMINESCENCE
Volume 132, Issue 4, Pages 965-971Publisher
ELSEVIER
DOI: 10.1016/j.jlumin.2011.11.023
Keywords
Quantum chemistry calculation; Dysprosium complex; Photoluminescence; Energy transfer model
Categories
Funding
- Program for Changjiang Scholar and Innovative Research Team in University [IRT0972]
- National Natural Science Foundation of China [20671068]
- Postgraduate Innovation Program of Shanxi Province [20103023]
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The energy of the highest occupied molecular orbital and the lowest unoccupied molecular orbital as well as their energy gaps, and the singlet and triplet state energy levels of 4-benzoylbenzoic acid (HL=4-BBA) and triphenylphosphine oxide (TPPO) were calculated with the Gaussian03 program package. The singlet state and triplet state energy levels were also estimated from the UV-vis absorption spectra and phosphorescence spectra. The results suggest that the calculated values approximately coincided with the experimental values. A Dy(III) complex was synthesized with 4-BBA as primary ligand and TPPO as neutral ligand. The structure of the complex was characterized by elemental analysis, H-1 NMR spectrometry, and FTIR spectrometry. TG-DTG analysis indicates that the complex kept stable up to 305 degrees C. The photoluminescence properties were studied by fluorescence spectrometry. The results show that Dy(III) ion sensitized by 4-BBA and TPPO emitted characteristic peaks at 572 nm (E-4(9/2)-H-6(13/2)) and 480 nm (E-4(9/2)-H-6(15/2)), and its Commission Internationale de L'Eclairge coordinates were calculated as x=0.33 and y=0.38, being located in the white range. Intermolecular energy transfer process was discussed and energy transfer model was also proposed. (C) 2011 Elsevier B.V. All rights reserved.
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