biostudies-literatureFernandez-Palacios SMinisterio de Ciencia, Innovacion y UniversidadesMinisterio de Ciencia, Innovación y UniversidadesJunta de Andalucia14739https://www.ebi.ac.uk/biostudies/studies/S-EPMC10648745biostudies-literatureUnknown24(19)A family of acylhydrazones have been prepared and characterized with the aim of investigating their potential as information storage systems. Their well-established synthetic methodologies allowed for the preparation of seven chemically stable acylhydrazones in excellent yields that have been photophysically and photochemically characterized. In addition, DFT and TD-DFT calculations have been performed to gain more insights into the structural, energetic and photophysical properties of the E/Z isomers. Our results reveal that E/Z configurational isomerization upon irradiation is highly dependent on the stabilization of the E or Z isomers due to the formation of intramolecular H bonds and the electronic/steric effects intrinsically related to their International journal of molecular sciencesNew Insights into Acylhydrazones E/Z Isomerization: An Experimental and Theoretical Approach.PMC10648745PID2019-110305GB-I00FQM-159FQM-017PID2019-104293GB-I00Lopez Navarrete JTMatamoros EMorato Rojas IPerez-Inestrosa ERuiz Delgado MCFernandez-Palacios SVida YfalseNew Insights into Acylhydrazones E/Z Isomerization: An Experimental and Theoretical Approach.A family of acylhydrazones have been prepared and characterized with the aim of investigating their potential as information storage systems. Their well-established synthetic methodologies allowed for the preparation of seven chemically stable acylhydrazones in excellent yields that have been photophysically and photochemically characterized. In addition, DFT and TD-DFT calculations have been performed to gain more insights into the structural, energetic and photophysical properties of the E/Z isomers. Our results reveal that E/Z configurational isomerization upon irradiation is highly dependent on the stabilization of the E or Z isomers due to the formation of intramolecular H bonds and the electronic/steric effects intrinsically related to their 2023-01-01T00:00:00Z2023 Sep2025-04-26T17:14:00.73Z2025-04-06T15:29:53.796ZS-EPMC106487453783418610.3390/ijms241914739