1. DergiPark
  2. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi A - Uygulamalı Bilimler ve Mühendislik
  3. Arşiv
  4. Cilt 17, Sayı 2
Yıl 2016, Cilt 17 , Sayı 2, Sayfalar 357 - 376 2016-07-14

SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE

Meryem Türkay AYTEKİN [1] , Dilek ELMALI [2] , Halil BERBER [3] , Filiz ŞİŞMAN [4]

Öz

N-(2,4-dichlorobenzylidene)-3-methylbenzenamine (L6) was synthesized as single crystal and characterized by FT-IR, Raman, 1H NMR, 13C NMR and UV-VIS spectroscopy. The thermal stability of the title compound was also studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA) analyses. The optimized geometric parameters, conformational analysis, normal mode frequencies and corresponding vibrational assignments of L6 was theoretically examined by means of density functional theory (DFT) method using the Becke-3-Lee-Yang-Parr (B3LYP) exchange-correlation functional and the 6-311G++(d, p) basis sets. The DFT based nuclear magnetic resonance (NMR) calculations was also performed to use for assigning the 1H and 13C NMR chemical shifts of L6. Reliable vibrational assignments were investigated by the potential energy distribution analysis and the highest occupied and the lowest unoccupied molecular orbitals (HOMO and LUMO) of L6 was predicted. A good consistency was obtained between the theoretically predicted structural parameters, vibrational frequencies and those obtained experimentally.

Anahtar Kelimeler

Nitrile, Metallophthalocyanine, Cyclotetramerization, Macrocyclic

Kaynakça

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Ayrıntılar

Birincil Dil en
Konular Mühendislik
Bölüm Araştırma Makalesi
Yazarlar

Yazar: Meryem Türkay AYTEKİN

Yazar: Dilek ELMALI

Yazar: Halil BERBER

Yazar: Filiz ŞİŞMAN
Tarihler

Yayımlanma Tarihi : 14 Temmuz 2016

Kaynak Göster

Bibtex @araştırma makalesi { aubtda257968, journal = {Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering}, issn = {1302-3160}, eissn = {2146-0205}, address = {}, publisher = {Eskişehir Teknik Üniversitesi}, year = {2016}, volume = {17}, pages = {357 - 376}, doi = {10.18038/btda.05228}, title = {SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE}, key = {cite}, author = {Ayteki̇n, Meryem Türkay and Elmalı, Dilek and Berber, Halil and Şi̇şman, Filiz} }
APA Ayteki̇n, M , Elmalı, D , Berber, H , Şi̇şman, F . (2016). SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE . Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering , 17 (2) , 357-376 . DOI: 10.18038/btda.05228
MLA Ayteki̇n, M , Elmalı, D , Berber, H , Şi̇şman, F . "SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE" . Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering 17 (2016 ): 357-376 <https://dergipark.org.tr/tr/pub/aubtda/issue/24338/257968>
Chicago Ayteki̇n, M , Elmalı, D , Berber, H , Şi̇şman, F . "SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE". Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering 17 (2016 ): 357-376
RIS TY - JOUR T1 - SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE AU - Meryem Türkay Ayteki̇n , Dilek Elmalı , Halil Berber , Filiz Şi̇şman Y1 - 2016 PY - 2016 N1 - doi: 10.18038/btda.05228 DO - 10.18038/btda.05228 T2 - Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering JF - Journal JO - JOR SP - 357 EP - 376 VL - 17 IS - 2 SN - 1302-3160-2146-0205 M3 - doi: 10.18038/btda.05228 UR - https://doi.org/10.18038/btda.05228 Y2 - 2021 ER -
EndNote %0 Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi A - Uygulamalı Bilimler ve Mühendislik SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE %A Meryem Türkay Ayteki̇n , Dilek Elmalı , Halil Berber , Filiz Şi̇şman %T SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE %D 2016 %J Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering %P 1302-3160-2146-0205 %V 17 %N 2 %R doi: 10.18038/btda.05228 %U 10.18038/btda.05228
ISNAD Ayteki̇n, Meryem Türkay , Elmalı, Dilek , Berber, Halil , Şi̇şman, Filiz . "SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE". Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering 17 / 2 (Temmuz 2016): 357-376 . https://doi.org/10.18038/btda.05228
AMA Ayteki̇n M , Elmalı D , Berber H , Şi̇şman F . SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE. AUBTD-A. 2016; 17(2): 357-376.
Vancouver Ayteki̇n M , Elmalı D , Berber H , Şi̇şman F . SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE. Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering. 2016; 17(2): 357-376.
IEEE M. Ayteki̇n , D. Elmalı , H. Berber ve F. Şi̇şman , "SYNTHESIS, CHARACTERIZATION, CRYSTAL STRUCTURE AND THEORETICAL STUDIES OF N-(2,4-DICHLOROBENZYLIDENE)-3-METHYLBENZENAMINE", Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering, c. 17, sayı. 2, ss. 357-376, Tem. 2016, doi:10.18038/btda.05228
Makalenin Yazarları
Meryem Türkay AYTEKİN [1]
Dilek ELMALI [2]
Halil BERBER [3]
Filiz ŞİŞMAN [4]
Arşiv
Editör Kurulu
İletişim
TR Dizin
TR Dizin