5,6,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
CAS:
Ref. 3D-GAA56366
Informação sobre produto
5,6,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one is a molecule that has electronic transitions in the visible region of the spectrum. The absorptions are due to transitions between different energy levels or orbitals. The molecule has a geometry optimized for these transitions. Computational modeling of the molecule was performed by extracting density from quantum chemistry calculations and density functional theory (DFT) calculations in order to create a model with accurate potential energies. This theoretical approach was used to compute the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies for 5,6,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one. These computations were compared to experimental values obtained with gas phase experiments and molecular orbital calculations, which show good agreement.
Propriedades químicas
Consulta técnica sobre 5,6,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
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