Spectroscopic and theoretical study of the electronic structure of curcumin and related fragment molecules.

  title={Spectroscopic and theoretical study of the electronic structure of curcumin and related fragment molecules.},
  author={V. Galasso and B. Kova{\vc} and A. Modelli and M. F. Ottaviani and F. Pichierri},
  journal={The journal of physical chemistry. A},
  volume={112 11},
The low volatility and thermal instability made the photoelectron (PE), electron transmission (ET), and dissociative electron attachment (DEA) spectroscopy measurements on curcumin (a potent chemopreventive agent) unsuccessful. The filled and empty electronic structure of curcumin was therefore investigated by exploiting the PES, ETS, and DEAS results for representative fragment molecules and suitable quantum-mechanical calculations. On this basis, a reliable pattern of the vertical ionization… Expand
Synthesis, electronic, and spectral properties of novel geranylated chalcone derivatives: a theoretical and experimental study
The localization of the frontier orbitals (HOMO and LUMO) shows that only the compound containing a hydroxyl group on the A-ring displays a marked delocalization favoring the charge-transfer process in this system. Expand
Photophysics, photochemistry and photobiology of curcumin : Studies from organic solutions, bio-mimetics and living cells
Curcumin, with its recent success as an anti-tumor agent, has been attracting researchers from wide ranging fields of physics, chemistry, biology and medicine. The chemical structure of curcumin hasExpand
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Synthesis of new ferrocenyl dehydrozingerone derivatives and their effects on viability of PC12 cells
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Synchronous fluorescence spectroscopic study of solvatochromic curcumin dye.
  • D. Patra, C. Barakat
  • Chemistry, Medicine
  • Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
  • 2011
Curcumin decay properties in all the solvents could be fitted well to a double-exponential decay function and π* scale of solvent polarity was found compared to λabsmax or λemmax or Stokes' shift measurements. Expand
Spectroscopic investigations on the molecular motions and solution chemistry of the medicinal pigment curcumin.
Curcumin is the bioactive molecule in the pigments found in turmeric, a spice and traditional medicine in Asia for centuries. Research has shown that curcumin exhibits a number of medicinal benefits,Expand
Excited-State Proton Transfer and Intramolecular Charge Transfer in 1,3-Diketone Molecules.
The photophysical signature of the tautomeric species of the asymmetric (N,N-dimethylanilino)-1,3-diketone molecule are investigated using approaches rooted in density functional theory (DFT) and time-dependent DFT (TD-DFT), providing new insights into excited-state reactivity. Expand