AN OXOVANADIUM(IV)-CONTAINING N2O2 CHELATE COMPLEX CRYSTAL STRUCTURE DETERMINATION AND DFT

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Journal of the Turkish Chemical Society Section A: Chemistry
Volume:3 Issue:3 Special Issue
AN OXOVANADIUM(IV)-CONTAINING N2O2 CHELATE COMPLEX CRYSTAL STRUCTURE DETERMINATION AND DFT

AN OXOVANADIUM(IV)-CONTAINING N2O2 CHELATE COMPLEX CRYSTAL STRUCTURE DETERMINATION AND DFT

Pages : 393-402

View : 50 | Download : 5

Publication Date : 2017-01-08

Article Type : Research Paper

Abstract :A stable oxovanadiuminsert ignore into journalissuearticles values(IV); complex was obtained by template condensation of 2-hydroxynaphthaldehyde S-methylthiosemicarbazone and salicylaldehyde in the presence of VOSO 4 . The structure of VOinsert ignore into journalissuearticles values(II); centered metal complex was confirmed by elemental analysis and was characterized by single crystal X-ray diffraction technique and density functional theory insert ignore into journalissuearticles values(DFT/B3LYP); LANL2DZ compared with experimental data. The complex crystal is in the form of dark green-colored small sticks. The experimental data of the monoclinic crystalline structure which belonging P1 21/n1 space group was compared to those obtained with DFT-B3LYP-LANDL2DZ. It was seen that experimental and theoretical values are in a good agreement.
Keywords : Oxovanadium IV, complexes, thiosemicarbazones, template reaction, crystal structure, DFT

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