New Insights into Acylhydrazones E/Z Isomerization: An Experimental and Theoretical Approach.
Int J Mol Sci
; 24(19)2023 Sep 29.
Article
em En
| MEDLINE
| ID: mdl-37834186
ABSTRACT
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 structures. In addition, Raman spectroscopy is also used to confirm the molecular structural changes after the formation of hydrogen bonds in the isomers.
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Base de dados:
MEDLINE
Assunto principal:
Análise Espectral Raman
Idioma:
En
Ano de publicação:
2023
Tipo de documento:
Article