A NEW SYNTHETIC THIO-CHALCONE INTENDED AS A LIGAND FOR POLYMETALLIC COORDINATION COMPOUNDS: STRUCTURAL, ELECTROCHEMICAL AND THEORETICAL STUDY

Journal of The Chilean Chemical Society

article

F. Brovelli¹  R. Baggio²  L. Álvarez³  Y. Moreno⁴ 

[1] Universidad de Concepción, Escuela de Educación, Departamento Ciencias Básicas, Campus Los Angeles;Comisión Nacional de Energía Atómica;Departamento de Química, Universidad Técnica Federico Santa María;Facultad de Ciencias Básicas, Universidad Santo Tomás

关键词: Chalcone;    cyclic voltammetry;    DFT calculations;    crystal structure;    diffusion coefficient;   

DOI  :  10.4067/S0717-97072021000205190

学科分类：化学（综合）

来源: Sociedad Chilena de Quimica

【 摘 要 】

The new chalcone, 1-(PYRIDIN-2-YL)-3-(THIOPHEN-2-YL)PROPENONE, has been synthesized and its crystal and molecular structure determined. An electrochemical characterization of the molecule disclosed some reversible and irreversible processes in its cathodic/anodic reactions. A density functional study was carried out in order to calculate the frontier molecular orbitals and the diffusion coefficient, which showed very good agreement with the experimental data.

【 授权许可】

Unknown