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

Öz

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.

Anahtar Kelimeler

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

Kaynakça

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Ayrıntılar

Birincil Dil

Türkçe

Konular

-

Bölüm

-

Yazarlar

Taner Erdoğan

Yayımlanma Tarihi

24 Kasım 2016

Gönderilme Tarihi

13 Haziran 2016

Kabul Tarihi

-

Yayımlandığı Sayı

Yıl 2016 Cilt: 20 Sayı: 3

DOI

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

IZ

https://izlik.org/JA87RY32XN

Kaynak Göster

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. Süleyman Demirel Üniv. Fen Bilim. Enst. Derg. 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 (01 Aralık 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”, Süleyman Demirel Üniv. Fen Bilim. Enst. Derg., c. 20, sy 3, ss. 475–489, Ara. 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 (01 Aralık 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. Süleyman Demirel Üniv. Fen Bilim. Enst. Derg. 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, c. 20, sy 3, Aralık 2016, ss. 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. Süleyman Demirel Üniv. Fen Bilim. Enst. Derg. 01 Aralık 2016;20(3):475-89. doi:10.19113/sdufbed.07390

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