Complexation of 1,3-dihetaryl-5-phenyl-2-pyrazoline Derivatives with Polyvalent Metal Ions: Quantum Chemical Modeling and Experimental Investigation
نویسندگان
چکیده
1,3,5-Triaryl-2-pyrazoline derivatives with a pyridine ring in position 1 and 2-benzimidazolyl or 2-benzothiazolyl bicycles 3 were synthesized. Spectral properties solvents of similar polarity, i.e. aprotic acetonitrile protic methanol, studied, complexation cadmium mercury ions was elucidated as well. Quantum-chemical modeling application the elements Bader's atoms-in-molecules (AIM) theory title molecules conformational structure 1:1 stoichiometry complexes formed polyvalent metals various nature (Mg, Zn, Cd, Pb, Hg, Ba) conducted. The principal possibility “nitrogen-sulfur” switching metal binding sites for benzothiazole derivative revealed, makes possible to classify this compound “smart ligand”.
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ژورنال
عنوان ژورنال: French-Ukrainian journal of chemistry
سال: 2022
ISSN: ['2312-3222']
DOI: https://doi.org/10.17721/fujcv10i1p155-174