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

Kani Arıcı; Özkan Gül

doi:10.32571/ijct.469000

EN

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

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.

Keywords

8-hydroxyquinoline,2-picoline,HF,DFT

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Details

Primary Language

English

Subjects

Metrology, Applied and Industrial Physics

Journal Section

Research Article

Authors

Kani Arıcı ^*
0000-0001-7947-0766
Türkiye

Özkan Gül This is me
0000-0001-7204-7957
Türkiye

Publication Date

December 28, 2018

Submission Date

October 10, 2018

Acceptance Date

November 16, 2018

Published in Issue

Year 2018 Volume: 2 Number: 2

DOI

https://doi.org/10.32571/ijct.469000

IZ

https://izlik.org/JA35XC57CF

Cite

RIS / Bibtex

APA

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, 2(2), 141-152. https://doi.org/10.32571/ijct.469000

AMA

1.Arıcı K, Gül Ö. Molecular structure of Zn (II) compound containing 8-hydroxyquinoline and 2-picoline ligands [I], theoretical HF and DFT studies [II]. Int. J. Chem. Technol. 2018;2(2):141-152. doi:10.32571/ijct.469000

Chicago

Arıcı, Kani, and Özkan Gül. 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 2 (2): 141-52. https://doi.org/10.32571/ijct.469000.

EndNote

Arıcı K, Gül Ö (December 1, 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 2 2 141–152.

IEEE

[1]K. Arıcı and Ö. Gül, “Molecular structure of Zn (II) compound containing 8-hydroxyquinoline and 2-picoline ligands [I], theoretical HF and DFT studies [II]”, Int. J. Chem. Technol., vol. 2, no. 2, pp. 141–152, Dec. 2018, doi: 10.32571/ijct.469000.

ISNAD

Arıcı, Kani - Gül, Özkan. “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 2/2 (December 1, 2018): 141-152. https://doi.org/10.32571/ijct.469000.

JAMA

1.Arıcı K, Gül Ö. Molecular structure of Zn (II) compound containing 8-hydroxyquinoline and 2-picoline ligands [I], theoretical HF and DFT studies [II]. Int. J. Chem. Technol. 2018;2:141–152.

MLA

Arıcı, Kani, and Özkan Gül. “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, vol. 2, no. 2, Dec. 2018, pp. 141-52, doi:10.32571/ijct.469000.

Vancouver

1.Kani Arıcı, Özkan Gül. Molecular structure of Zn (II) compound containing 8-hydroxyquinoline and 2-picoline ligands [I], theoretical HF and DFT studies [II]. Int. J. Chem. Technol. 2018 Dec. 1;2(2):141-52. doi:10.32571/ijct.469000

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