| Literature DB >> 15248953 |
Cyril Párkányi1, Michelle R Stem-Beren, Omar R Martínez, Jean-Jacques Aaron, Mihaela Bulaceanu-MacNair, Antonio F Arrieta.
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.Entities:
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Year: 2004 PMID: 15248953 DOI: 10.1016/j.saa.2003.07.013
Source DB: PubMed Journal: Spectrochim Acta A Mol Biomol Spectrosc ISSN: 1386-1425 Impact factor: 4.098