Article

Photophysical characteristics and density functional theory calculations of indole 2-carboxylic acid in the presence of mercurous ions

Research on Chemical Intermediates (impact factor: 0.7). 04/2012; 32(7):637-645. DOI:10.1163/156856706778400299 pp.637-645

ABSTRACT Many photo-physical studies have been reported for the detection of Hg2+ ions. Here we present the effect of Hg
2
2+
ions on the absorption and fluorescence of indole-2-carboxylic acid (I2C). Experimental evidence, supported by density functional
theory B3LYP/LANL2DZ/PCM, for the formation of a I2C-Hg
2
2+
complex, is reported for the first time. It was observed that I2C forms a ground-state complex with Hg
2
2+
ions in a ratio of 3:1. The possibility of I2C to be used as a selective novel chemical sensor for the spectrophotometric
detection of mercurous ions is described.

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