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

Yıl 2016, Cilt: 20 Sayı: 3, 475 - 489, 24.11.2016
https://doi.org/10.19113/sdufbed.07390

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.

Kaynakça

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Toplam 31 adet kaynakça vardır.

Ayrıntılar

Bölüm Makaleler
Yazarlar

Taner Erdoğan

Yayımlanma Tarihi 24 Kasım 2016
Yayımlandığı Sayı Yıl 2016 Cilt: 20 Sayı: 3

Kaynak Göster

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 Erdoğan T. The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study. SDÜ Fen Bil Enst Der. Aralık 2016;20(3):475-489. doi:10.19113/sdufbed.07390
Chicago 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, sy. 3 (Aralık 2016): 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 T. Erdoğan, “The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study”, SDÜ Fen Bil Enst Der, c. 20, sy. 3, ss. 475–489, 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 (Aralık 2016), 475-489. https://doi.org/10.19113/sdufbed.07390.
JAMA Erdoğan T. The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study. SDÜ Fen Bil Enst Der. 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, 2016, ss. 475-89, doi:10.19113/sdufbed.07390.
Vancouver Erdoğan T. The First Synthesis of Some Novel 4-Chloro Chalcone Based Oxime Ethers: An Experimental and Computational Study. SDÜ Fen Bil Enst Der. 2016;20(3):475-89.

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