Dergiler / Journal of the Turkish Chemical Society Section A: Chemistry / 2016 / Volume: 3 Issue: 3 Special Issue

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

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Yayın Tarihi
2017-01-08
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It was seen that experimental and theoretical values are in a good agreement.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:A stable oxovanadium(IV) complex was obtained by template condensation of 2-hydroxynaphthaldehyde S-methylthiosemicarbazone and salicylaldehyde in the presence of VOSO 4 .
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Temel Bulgular & Veri: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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Sonuç & Katkı:It was seen that experimental and theoretical values are in a good agreement.
🔬Tür:Article
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Oxovanadium(IV) complexes · thiosemicarbazones · template reaction

Abstract

A stable oxovanadium(IV) complex was obtained by template condensation of 2-hydroxynaphthaldehyde S-methylthiosemicarbazone and salicylaldehyde in the presence of VOSO 4 . 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.

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Bu Makaleye Atıf Yap

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, Volume: 3 Issue: 3 Special Issue. https://doi.org/10.18596/jotcsa.33245

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Kaynakça (20)

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