Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Naki Çolak; Saliha Altıner; Zarife Sibel Şahin; Ayla Balaban Gündüzalp

Makale detayları

Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Yazarlar:

Naki Çolak | Saliha Altıner | Zarife Sibel Şahin | Ayla Balaban Gündüzalp

Yayıncı:

Gazi University

Ana Başlıklar:

Uygulamalı fizik

Dergi:

Gazi University Journal of Science 2017 Vol.30 Issue 3, pp.245-254

Belge Tipi:

Makale

Yayın Tarihi:

9/2017

Belge Dili:

İngilizce

Document ID (Org No.):

2000428393

eISSN:

2147-1762

Özet:

 

Aromatic/heteroaromatic Schiff base was synthesized by the reaction of 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile with 2,3-dihydroxybenzaldehyde. Titled compound was characterized by elemental analysis, FT-IR, 1H NMR, 13C-APT NMR and single crystal X-ray diffraction methods. Imine compound was crystallized in triclinic crystal system with space group P-1. X-ray studies reveal that our molecule is stabilized by O-H···N and C-H···O hydrogen bonds and intermolecular π∙∙∙π interactions. The molecular structure of Schiff base was optimized by density functional theory (DFT) method using B3LYP/6-311+G(2d,p) quantum set in Gaussian 09W software program. The chemical shifts and geometrical parameters were also computed by the same quantum level and compared with the experimental results of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile.

Makale detayları

Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Yazarlar: Naki Çolak | Saliha Altıner | Zarife Sibel Şahin | Ayla Balaban Gündüzalp

Yayıncı: Gazi University

Ana Başlıklar: Uygulamalı fizik

Dergi: Gazi University Journal of Science 2017 Vol.30 Issue 3, pp.245-254

Belge Tipi: Makale

Yayın Tarihi: 9/2017

Belge Dili: İngilizce

Document ID (Org No.): 2000428393

eISSN: 2147-1762

Sayı

Yazarlar:

Naki Çolak | Saliha Altıner | Zarife Sibel Şahin | Ayla Balaban Gündüzalp

Yayıncı:

Gazi University

Ana Başlıklar:

Uygulamalı fizik

Dergi:

Gazi University Journal of Science 2017 Vol.30 Issue 3, pp.245-254

Belge Tipi:

Makale

Yayın Tarihi:

9/2017

Belge Dili:

İngilizce

Document ID (Org No.):

2000428393

eISSN:

2147-1762