Title:	Photoisomerization Dynamics of 2-[(E)-(4-fluorophenyl)diazinyl]-H-imidazole: A Theoretical and Experimental Insight
Authors:	John, Athira Maria Xavier, Sebin Sebastian Benny, Cyril Philip, Reji Balakrishnan, Sreeja Puthanveetil
Keywords:	Azoimidazole Nonlinear optics Optical limiters Photoisomerization TD-DFT
Issue Date:	May-2025
Publisher:	Journal of Computational Biophysics and Chemistry
Citation:	Journal of Computational Biophysics and Chemistry, 2025, Vol.24, p521-533
Abstract:	This study investigates the photoresponsive behavior of substituted azobenzenes with a specific focus on their nonlinear optical response. This study suggests that azoimidazole substitution is a better alternative to azobenzene derivatives for nonlinear optical responses. The synthesis, characterization, photophysical property and isomerization pathway of 2-[(E)-(4-fluorophenyl)diazenyl]-1H-imidazole (E-2g) are presented as an optical limiter through a comprehensive blend of experimental and theoretical approaches. Notably, E-2g exhibited a lower energy barrier than reported azobenzenes. The trans-to-cis photostationary state was reached in 75 min, while the cis-to-trans state was achieved in 60 min at 354 nm. The study further explores the photoisomerization pathway of E-2g, highlighting its nonlinear absorption, which has a nonlinear absorption coefficient (βeff) of 8.8 × 10−11 m/W at 20 μJ, as determined by Z-scan measurements. The results suggest that E-2g exhibits significant nonlinear absorption characteristics, which helps in applications requiring protection from intense light sources
Description:	Restricted Access.
URI:	http://hdl.handle.net/2289/8472
ISSN:	2737-4165 2737-4173 (online)
Alternative Location:	http://dx.doi.org/10.1142/S2737416524500698
Copyright:	2025 World Scientific Publishing Company
Appears in Collections:	Research Papers (LAMP)

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