SUBSTITUTED HETEROCYCLIC CHALCONES: ELECTROCHEMICAL, SPECTROSCOPIC AND THEORETICAL STUDY

Journal of The Chilean Chemical Society

article

F. Brovelli¹  D. Toledo²  G. Ahumada³  Y. Moreno⁴ 

[1] Universidad de Concepción, Departamento Ciencias Básicas, Campus Los Angeles;Universidad de La Frontera, Departamento de Ciencias Químicas y Recursos Naturales;Center for Soft and Living Matter, Institute for Basic Science;Universidad de La Serena

关键词: Chalcones;    Cyclic Voltammetry;    DFT calculations;    HOMO-LUMO levels;    optoelectronic materials;   

DOI  :  10.4067/S0717-97072022000305662

学科分类：化学（综合）

来源: Sociedad Chilena de Quimica

【 摘 要 】

We have studied the electronic and electrochemical properties of seven substituted heterocyclic chalcones (CHL 1-6) wich are functionalized with 2-thienyl groups. The phenyl ring of the chalcone scaffold has been substituted in orto or para position with electron donnor and acceptor groups (-F, -NO2, -CH3O). The electrochemical features were analyzed by cyclic voltammetry; irreversible processes were observed and attributed to the oxidation and reduction of the 2-thienyl group and the carbonyl group of the chalcone, respectively. DFT calculations were made to gain more in-depth understanding of their electronic properties. Relatively high HOMO level and low LUMO values were calculated, Eg values computed varies between 3.0-3.29 eV. These values enable us to postulate that these type of compounds are suitable building blocks to fabricate optoelectronic devices.

【 授权许可】

Unknown