Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches

Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches

Simulations based on molecular dynamics coupled to excitation energy calculations were used to generate simulated absorption spectra for a family of halide derivatives of azobenzene, a family of photoswitch molecules with a weak absorption band around 400–600 nm and potential uses in living tissue....

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Bibliographic Details
Main Authors: Ricard Gelabert, Miquel Moreno, José M. Lluch
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:International Journal of Molecular Sciences
Subjects:
photoswitch
azobenzene derivatives
mammal optical window
absorption spectrum
absorption band shape
molecular dynamics simulations
Online Access:https://www.mdpi.com/1422-0067/24/1/25

Internet

https://www.mdpi.com/1422-0067/24/1/25

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