Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System
Yazarlar (4)
Prof. Dr. Ayla Balaban Gündüzalp Gazi Üniversitesi, Türkiye
Prof. Dr. Naki Çolak Hitit Üniversitesi, Türkiye
Saliha Altıner
Prof. Dr. Zarife Sibel ŞAHİN Sinop Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SCOPUS dergilerinde yayınlanan tam makale)
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| Dergi Adı | GAZI UNIVERSITY JOURNAL OF SCIENCE | ||
| Dergi ISSN | 2147-1762 Dergi Bilgileri (2017) | ||
| Dergi Tarandığı Indeksler | ESCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2017 |
| Cilt / Sayı / Sayfa | 30 / 3 / 255–265 | DOI | – |
| Makale Linki | http://dergipark.gov.tr/gujs | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| Schiff base titled as 2-((2-methoxybenzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b] thiophene-3-carbonitrile was obtained by using amine;2-amino-6-methyl-4,5,6,7-tetrahydro benzo[b]thiophene-3-carbonitrile and 2-methoxybenzaldehyde. Imine compound was characterized by using elemental analysis, FTIR, NMR ( 13 C-APT, 1 H) techniques and X ray diffraction analysis. X-ray studies reveal that molecule was singly crystallized in triclinic crystal system with space group P-1. The optimized structure, chemical shifts ( 1 H and 13 C NMR) and geometrical parameters (bond lenghts, bond angles and torsion angles) of Schiff base were obtained by DFT method with B3LYP/ 6-311+G(2d,p) basis set in Gaussian 09W software program . The calculated NMR shifts and geometrical parameters were compared with the experimental results. The f rontier molecular orbitals (FMOs) and energy levels were also determined by this quantum set. |
| Anahtar Kelimeler |
| Schiff base | Thiophene ring | Gewald methods | FMOs |
