The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study

Taner Erdoğan

doi:10.19113/sdufbed.07390

The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study

Abstract

In this study; a series of novel oxime ethers, 3-(4-chlorophenyl)-1-phenyl-2-propen-1-one O-benzyl oximes, have been synthesized and characterized by several spectroscopic methods. To the best of our knowledge, this is the first synthesis of 3-(4-chlorophenyl)-1-phenyl-2-propen-1-one O-benzyl oximes. The study consists of two parts. In the first part, the synthesis and the characterization of the selected compounds have been carried out. In the second part of our study some DFT (Density Functional Theory) calculations have been performed on the synthesized molecules and the obtained results have been compared with the experimental results. In the study; single point energy calculations, geometry optimizations, frequency analysis, NMR spectral analysis, molecular electrostatic potential map calculations, frontier molecular orbital calculations, determination of some global reactivity descriptors and Mulliken atomic charge calculations have been performed. All DFT calculations were carried out at the B3LYP/6-31G(d), B3LYP/6-311G(d,p) and B3LYP/6-311+G(2d,p) level of theories.

Keywords

Chalcone,Oxime; Oxime ether; DFT calculation; Computational chemistry

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Details

Primary Language

Turkish

Subjects

-

Journal Section

-

Authors

Taner Erdoğan

Publication Date

November 24, 2016

Submission Date

June 13, 2016

Acceptance Date

-

Published in Issue

Year 2016 Volume: 20 Number: 3

DOI

https://doi.org/10.19113/sdufbed.07390

IZ

https://izlik.org/JA87RY32XN

Cite

RIS / Bibtex

APA

Erdoğan, T. (2016). The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 20(3), 475-489. https://doi.org/10.19113/sdufbed.07390

AMA

1.Erdoğan T. The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study. J. Nat. Appl. Sci. 2016;20(3):475-489. doi:10.19113/sdufbed.07390

Chicago

Erdoğan, Taner. 2016. “The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 20 (3): 475-89. https://doi.org/10.19113/sdufbed.07390.

EndNote

Erdoğan T (December 1, 2016) The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 20 3 475–489.

IEEE

[1]T. Erdoğan, “The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study”, J. Nat. Appl. Sci., vol. 20, no. 3, pp. 475–489, Dec. 2016, doi: 10.19113/sdufbed.07390.

ISNAD

Erdoğan, Taner. “The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 20/3 (December 1, 2016): 475-489. https://doi.org/10.19113/sdufbed.07390.

JAMA

1.Erdoğan T. The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study. J. Nat. Appl. Sci. 2016;20:475–489.

MLA

Erdoğan, Taner. “The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, vol. 20, no. 3, Dec. 2016, pp. 475-89, doi:10.19113/sdufbed.07390.

Vancouver

1.Taner Erdoğan. The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study. J. Nat. Appl. Sci. 2016 Dec. 1;20(3):475-89. doi:10.19113/sdufbed.07390

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