What is it about?
The article presents simulation of dependence of absorption of light on wavelength for an organic chemical that changes its structure upon illumination. The simulation is performed with modern software implementing calculation methods based on quantum mechanics. Knowing molecular structure we obtain this dependence and compare the results with ones observed experimentally
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Why is it important?
We have found a calculation method that provide good correspondence between simulated and real dependence of absorption on wavelength for this specific sort of molecules
Perspectives
The results can be used for prediction of properties of novel or modified organic compounds
Yevgen Syetov
Oles Honchar Dnipro National University
Read the Original
This page is a summary of: Vibrational structure of absorption spectrum of 2,5-bis(2-benzoxazolyl)hydroquinon, Low Temperature Physics, February 2025, American Institute of Physics,
DOI: 10.1063/10.0035409.
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