NEW METAL COMPLEXES AND THEIR POSSIBLE APPLYING BRANCHES IN AGRICULTURAL SECTOR BY QUANTUM CHEMICAL
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Abstract
In this article, the crystal arrangement of molecule for [Cu(PHBA)2(MEA)2] complex was analyzed. This analysis is necessary to determine what kind of supramolecular structures (2- or 3-dimensional framework) are formed as a result of intermolecular interactions, because it depends on the physico-chemical properties of the crystal, for example, melting temperature, solubility, stability, etc. can be concluded about . However, such qualitative analysis can be replaced by quantitative analyzes based on quantum-chemical approaches. It is based on the calculation of a surface with the same electron charge density, called the Hirshfeld surface. As a result, it becomes possible to quantify the interaction between two or more molecules.
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