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oai:riuma.uma.es:10630/344882026-02-03T11:00:02Zcom_10630_2254col_10630_37953

Fernández-Palacios, Sara Matamoros, Esther Morato Rojas, Isabel López Navarrete, Juan T. Ruiz-Delgado, María del Carmen Vida-Pol, Yolanda Perez-Inestrosa, Ezequiel 2024-10-08T09:43:43Z 2024-10-08T09:43:43Z 2023 Fernández-Palacios, S.; Matamoros, E.; Morato Rojas, I.; López Navarrete, J.T.; Ruiz Delgado, M.C.; Vida, Y.; Perez-Inestrosa, E. New Insights into Acylhydrazones E/Z Isomerization: An Experimental and Theoretical Approach. Int. J. Mol. Sci. 2023, 24, 14739. https://doi.org/10.3390/ijms241914739 https://hdl.handle.net/10630/34488 10.3390/ijms241914739 A family of acylhydrazones have been prepared and characterized with the aim of investigating their potential as information storage systems. Their well stablished synthetic methodologies allowed the preparation of seven chemically stable acylhydrazones in excellent yields, that have been photophysically and photochemically characterized. In addition, DFT and TD-DFT calcula-tions have been performed to gain more insights into the structural, energetics and photophysi-cal properties of the E/Z isomers. Our results reveal that the E,Z configurational isomerization upon irradiation is highly dependent on the stabilization of the E or Z isomer due to the for-mation of intramolecular H bonds and electronic/steric effects intrinsically related to their structures. In addition, Raman spectroscopy is also used to confirm molecular structural changes after the formation of hydrogen bonds in the isomers eng open access Fotoquímica New Insights into Acylhydrazones E/Z isomerization: An Experimental and Theoretical Approach. journal article