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Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-ray Diffraction Method and Quantum Mechanical Calculations
Abstract
Aromatic-structured acids and their complexes are having with biological
importance, in particular molecules which are used in the food industry due to enzymatic activity and antimicrobial properties. In this study, crystal structure analyses were performed by X-ray diffraction method, and biological analysis of synthesized aromatic-structured complex molecules determined. In order to support and compare of the experimental results for these complexes, the quantum mechanical Hartree-Fock (HF) and Density Functional Theory (DFT) methods were investigated by theoretical calculations. Many information at the atomic level for the complex molecules such as, conformations in the unit cell, energies, bond lengths and angles, molecular packing, intra- and inter-molecular hydrogen bonding interactions were presented.
importance, in particular molecules which are used in the food industry due to enzymatic activity and antimicrobial properties. In this study, crystal structure analyses were performed by X-ray diffraction method, and biological analysis of synthesized aromatic-structured complex molecules determined. In order to support and compare of the experimental results for these complexes, the quantum mechanical Hartree-Fock (HF) and Density Functional Theory (DFT) methods were investigated by theoretical calculations. Many information at the atomic level for the complex molecules such as, conformations in the unit cell, energies, bond lengths and angles, molecular packing, intra- and inter-molecular hydrogen bonding interactions were presented.
Keywords
Details
Primary Language
English
Subjects
-
Journal Section
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Publication Date
June 9, 2015
Submission Date
June 5, 2015
Acceptance Date
-
Published in Issue
Year 2015 Volume: 2 Number: 3
APA
Aslantaş, M., Karayel, A., Çelik, Ö., & Arslan, A. (2015). Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-ray Diffraction Method and Quantum Mechanical Calculations. Journal of the Turkish Chemical Society Section A: Chemistry, 2(3), 29-31. https://doi.org/10.18596/jotcsa.18046
AMA
1.Aslantaş M, Karayel A, Çelik Ö, Arslan A. Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-ray Diffraction Method and Quantum Mechanical Calculations. JOTCSA. 2015;2(3):29-31. doi:10.18596/jotcsa.18046
Chicago
Aslantaş, Mehmet, Arzu Karayel, Ömer Çelik, and Akif Arslan. 2015. “Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-Ray Diffraction Method and Quantum Mechanical Calculations”. Journal of the Turkish Chemical Society Section A: Chemistry 2 (3): 29-31. https://doi.org/10.18596/jotcsa.18046.
EndNote
Aslantaş M, Karayel A, Çelik Ö, Arslan A (June 1, 2015) Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-ray Diffraction Method and Quantum Mechanical Calculations. Journal of the Turkish Chemical Society Section A: Chemistry 2 3 29–31.
IEEE
[1]M. Aslantaş, A. Karayel, Ö. Çelik, and A. Arslan, “Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-ray Diffraction Method and Quantum Mechanical Calculations”, JOTCSA, vol. 2, no. 3, pp. 29–31, June 2015, doi: 10.18596/jotcsa.18046.
ISNAD
Aslantaş, Mehmet - Karayel, Arzu - Çelik, Ömer - Arslan, Akif. “Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-Ray Diffraction Method and Quantum Mechanical Calculations”. Journal of the Turkish Chemical Society Section A: Chemistry 2/3 (June 1, 2015): 29-31. https://doi.org/10.18596/jotcsa.18046.
JAMA
1.Aslantaş M, Karayel A, Çelik Ö, Arslan A. Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-ray Diffraction Method and Quantum Mechanical Calculations. JOTCSA. 2015;2:29–31.
MLA
Aslantaş, Mehmet, et al. “Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-Ray Diffraction Method and Quantum Mechanical Calculations”. Journal of the Turkish Chemical Society Section A: Chemistry, vol. 2, no. 3, June 2015, pp. 29-31, doi:10.18596/jotcsa.18046.
Vancouver
1.Mehmet Aslantaş, Arzu Karayel, Ömer Çelik, Akif Arslan. Molecular Structure Analyses of Some Crystals Containing Aromatic-Structured Acids by X-ray Diffraction Method and Quantum Mechanical Calculations. JOTCSA. 2015 Jun. 1;2(3):29-31. doi:10.18596/jotcsa.18046
