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Journals / International Journal of Chemistry and Technology / 2018 / Volume: 2 Issue: 2

Molecular structure of Zn (II) compound containing 8-hydroxyquinoline and 2-picoline ligands [I], theoretical HF and DFT studies [II]

Kani Arıcı0000-0001-7947-0766
Özkan Gül0000-0001-7204-7957
Pages
—
Publication Date
2018-12-28
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

It was observed that all the experimental and theoretical results are in good agreement with the literature.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:In this study, Zn (II) compound containing 8-hydroxyquinoline (L1:8-Hq) and 2-picoline (L2: 2P) ligands was prepared and its elemental analysis was recorded.
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Key Findings & Data:The infrared vibration frequencies of the prepared compound were calculated theoretically employing the ab-initio Hartree-Fock (HF) and density functional theory (DFT) methods with 6-311G(dp) basis set.
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Conclusion & Impact:It was observed that all the experimental and theoretical results are in good agreement with the literature.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:8-hydroxyquinoline · 2-picoline · DFT

Abstract

In this study, Zn (II) compound containing 8-hydroxyquinoline (L1:8-Hq) and 2-picoline (L2: 2P) ligands was prepared and its elemental analysis was recorded. Infrared spectra of the ligands and the compound were obtained. The structure of the prepared compound was determined approximately based on the spectroscopic and analytical results. The infrared vibration frequencies of the prepared compound were calculated theoretically employing the ab-initio Hartree-Fock (HF) and density functional theory (DFT) methods with 6-311G(dp) basis set. Finally, the vibrational frequency values of the compound obtained both experimentally and theoretically were compared in details. It was observed that all the experimental and theoretical results are in good agreement with the literature.

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Cite This Article

Arıcı, K., Gül, Ö. (2018). Molecular structure of Zn (II) compound containing 8-hydroxyquinoline and 2-picoline ligands [I], theoretical HF and DFT studies [II]. International Journal of Chemistry and Technology, Volume: 2 Issue: 2. https://doi.org/10.32571/ijct.469000

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