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Solvatochromic correlations and ground- and excited-state dipole moments of curcuminoid dyes
Cyril Párkányi1, Michelle R Stem-Beren, Omar R Martínez
1Department of Chemistry and Biochemistry, Florida Atlantic University, 777 Glades Road, P.O. Box 3091, Boca Raton, FL 33431-0991, USA. parkanyi@fau.edu
Abstract:
Experimental dipole moments of curcumin (1) and of its parent compound dicinnamoylmethane (2) were determined in dioxane and benzene, respectively. Theoretical dipole moments were calculated using a combination of the PPP method (pi-moment) and a vector sum of the sigma-bond moments (sigma-moment) as well as by the ZINDO/1 method. Solvatochromic correlations were used to obtain the experimental first excited singlet-state dipole moments. The experimental electronic absorption spectra were compared with the calculated transitions.
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