Journal
DYES AND PIGMENTS
Volume 93, Issue 1-3, Pages 1506-1511Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.dyepig.2011.11.001
Keywords
Cyanine dye; Trimethine cyanine; Spectral property; DFT calculation; Benzoxazolyl; Benzothiazolyl
Funding
- National Natural Science Foundation of China [20876101, 21071105, 20902065]
- Natural Science Fund in Jiangsu Province [BK2009113]
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Six symmetrical and unsymmetrical trimethine cyanine dyes bearing benzothiazolyl and benzoxazolyl groups were synthesized. Their linear optical properties were studied. It was found that the variation of hetero atoms play an important role in the spectral properties of the dyes. Sequential replacement of the oxygen atom by the sulfur atom resulted in a change in shade from yellow to purple. In order to understand the relationship between the molecular structures and the spectral properties of these dyes, theoretical calculations were made using the Gaussian programme. Key parameters related to absorption and emission spectra were reported and discussed. (C) 2011 Elsevier Ltd. All rights reserved.
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