Loading...
Please wait, while we are loading the content...
Photoinduced Dynamics of 13,13'-Diphenylpropyl-β-carotene.
| Content Provider | Europe PMC |
|---|---|
| Author | Koo, Sangho Kim, Yeong Hun Flender, Oliver Scholz, Mirko Oum, Kawon Lenzer, Thomas |
| Editor | Cacciola, Francesco |
| Copyright Year | 2023 |
| Abstract | Carotenoids are ubiquitous pigment systems in nature which are relevant to a range of processes, such as photosynthesis, but the detailed influence of substitutions at the polyene backbone on their photophysics is still underexplored. Here, we present a detailed experimental and theoretical investigation of the carotenoid 13,13'-diphenylpropyl-β-carotene using ultrafast transient absorption spectroscopy and steady-state absorption experiments in n-hexane and n-hexadecane, complemented by DFT/TDDFT calculations. In spite of their bulkiness and their potential capability to "fold back" onto the polyene system, which could result in π-stacking effects, the phenylpropyl residues have only a minor impact on the photophysical properties compared with the parent compound β-carotene. Ultrafast spectroscopy finds lifetimes of 200-300 fs for the S2 state and 8.3-9.5 ps for the S1 state. Intramolecular vibrational redistribution with time constants in the range 0.6-1.4 ps is observed in terms of a spectral narrowing of the S1 spectrum over time. We also find clear indications of the presence of vibrationally hot molecules in the ground electronic state (S0*). The DFT/TDDFT calculations confirm that the propyl spacer electronically decouples the phenyl and polyene π-systems and that the substituents in the 13 and 13' positions point away from the polyene system. |
| Journal | Molecules |
| Volume Number | 28 |
| DOI | 10.3390/molecules28083505 |
| PubMed Central reference number | PMC10143239 |
| Issue Number | 8 |
| PubMed reference number | 37110738 |
| e-ISSN | 14203049 |
| Language | English |
| Publisher | Molecular Diversity Preservation International (MDPI) |
| Publisher Date | 2023-04-16 |
| Access Restriction | Open |
| Subject Keyword | carotenoids ultrafast laser spectroscopy DFT/TDDFT calculations |
| Content Type | Text |
| Resource Type | Article |
| Subject | Physical and Theoretical Chemistry Medicine Chemistry Drug Discovery Pharmaceutical Science Analytical Chemistry Molecular Medicine Organic Chemistry |
