It was seen that experimental and theoretical values are in a good agreement.
📌 3 Key Takeaways
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Objective & Hypothesis:A stable oxovanadium(IV) complex was obtained by template condensation of 2-hydroxynaphthaldehyde S-methylthiosemicarbazone and salicylaldehyde in the presence of VOSO4.
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Key Findings & Data:The structure of VO(II) centered metal complex was confirmed by elemental analysis and was characterized by single crystal X-ray diffraction technique and density functional theory (DFT/B3LYP) LANL2DZ compared with experimental data.
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Conclusion & Impact:It was seen that experimental and theoretical values are in a good agreement.
A stable oxovanadium(IV) complex was obtained by template condensation of 2-hydroxynaphthaldehyde S-methylthiosemicarbazone and salicylaldehyde in the presence of VOSO4. The structure of VO(II) centered metal complex was confirmed by elemental analysis and was characterized by single crystal X-ray diffraction technique and density functional theory (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.
CEYLAN, B. İ. (2017). AN OXOVANADIUM(IV)-CONTAINING N2O2 CHELATE COMPLEX; CRYSTAL STRUCTURE DETERMINATION AND DFT. Journal of the Turkish Chemical Society Section A: Chemistry, Cilt: 3 - Sayı: 3, 393–402. https://ajindex.com/articles/781666
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