0000000001310432
AUTHOR
Monami Maiti
Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydrazone complex
Abstract One dimensional polymeric copper-hydrazone complex {[Cu(H0.5L)(µ1,3-SCN)]0.5ClO4·0.5MeOH}n (1) has been synthesized with Cu(ClO4)2·xH2O and N'-(1-(pyridin-2-yl)ethylidene)acetohydrazide (HL) in presence of NaSCN. The ligand and the complex have been characterized by several spectroscopic techniques (IR, UV–Vis and EPR), cyclic voltammetry and the structure of 1 has been determined by single crystal X-ray diffraction. The complex is an infinite one dimensional polymer bridged by thiocyanate. The magneto-structural correlation has been determined and the non-covalent interactions present in the molecule have been energetically evaluated by means of DFT calculations.
CCDC 1544334: Experimental Crystal Structure Determination
Related Article: Dipali Sadhukhan, Monami Maiti, Antonio Bauzá, Antonio Frontera, Eugenio Garribba, Carlos J. Gomez-García|2019|Inorg.Chim.Acta|484|95|doi:10.1016/j.ica.2018.09.031