AI Article Synopsis
- The study examines the molecular and electronic structure of curcumin, focusing on its tautomers and their deprotonated forms in various symmetry groups.
- The stability of lower-symmetry structures is linked to the Pseudo-Jahn-Teller (PJT) effect, which explains the persistence of different symmetries in the enol and keto forms.
- The analysis highlights the PJT effect's potential role in influencing electronic and vibrational energy levels, which could be significant for the photoprotective properties of natural dyes.
Article Abstract
In this paper, the molecular and electronic structure of curcumin is studied. High-symmetric gas-phase tautomers and their deprotonated forms in various symmetry groups are identified. The stability of lower-symmetry structures was explained by using the Pseudo-Jahn-Teller (PJT) effect. This effect leads to stable structures of different symmetries for the neutral enol and keto forms. The presented analysis demonstrated the potential significance of the PJT effect, which may modulate the setting of electronic and vibrational (vibronic) energy levels upon photodynamic processes. The PJT effect may rationalize the photoprotection action and activity of naturally occurring symmetric dyes.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10096455 | PMC |
| http://dx.doi.org/10.3390/molecules28072946 | DOI Listing |
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Article Synopsis
- The study examines the molecular and electronic structure of curcumin, focusing on its tautomers and their deprotonated forms in various symmetry groups.
- The stability of lower-symmetry structures is linked to the Pseudo-Jahn-Teller (PJT) effect, which explains the persistence of different symmetries in the enol and keto forms.
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