J. Iran. Chem. Soc., Vol. 6, No. 1 March 2009, pp.213~218.

Current location: JICS Archive > Vol. 6 > No. 1 > Articles : 21

Synthesis, Structure, Photoluminescence and Theoretical Study of (MQ)(CdBr4) with MQ2+ Generated In Situ (MQ2+ = N-Me-4,4′-bipyridinium)

X.-N. Fang*, W.-T. Chen, Y.-P. Xu, Q.-Y. Luo and H.-L. Chen

School of Chemistry and Chemical Engineering, Jiangxi Province Key Laboratory of Coordination Chemistry, Jinggangshan University, 343009, Ji’an, Jiangxi, PR China

A new compound (MQ)(CdBr4) (1; MQ2+ = N-Me-4,4′-bipyridinium), in which the MQ2+ was generated in situ, has been synthesized via hydrothermal reaction. The title compound features an isolated structure, based on discrete MQ2+ moieties and tetrahedral cadmium atoms terminally coordinated by four bromine atoms. The MQ2+ moieties and tetrabromo-cadmium dianions are linked via hydrogen bonds. Photoluminescent investigation reveals that the title compound displays a strong blue-light emission, which is attributed to a ligand-to-ligand charge-transfer (LLCT; from the HOMO of the bromine atoms to the LUMO+1 of the MQ2+ moieties) mechanism probed by molecular orbital (MO) calculations.

Keywords: Cadmium, Crystal structure, LLCT, MO, Photoluminescence

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