The reaction of nickel(II), copper(II) and cobalt(II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) leads to a series of new complexes: Ni(L)₂(NH₃), Cu(L)₂(DMF)₂and Co(L)₂(H₂O). The crystal structure of the Cu(L)₂(DMF)₂ complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexes were investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH₃CN solutions, showing the quasi-reversible redox process ascribed to the reduction of the M^II/M^I couples. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces. HOMO/LUMO energy level and the global reactivity descriptors quantum parameters are also calculated. The electrophilic and nucleophilic potions in the complex surface are theoretically evaluated by molecular electrostatic potential and Mulliken atomic charges analysis. © 2017 Elsevier B.V.

العنوان

Journal of Molecular Structure

الناشر

ElSEVIER

بلد الناشر

هولندا

Indexing

Thomson Reuters

معامل التأثير

1,78

نوع المنشور

مطبوع فقط

المجلد

1155

السنة

2018

الصفحات

11-20