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Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System

Year 2017, Volume: 30 Issue: 3, 255 - 265, 20.09.2017

Naki Çolak Ayla Balaban Gündüzalp Saliha Altıner Zarife Sibel Şahin

Abstract

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 (13C-APT, 1H)
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 (1H
and 13C 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 frontier molecular orbitals (FMOs) and energy
levels were also determined by this quantum set.

Keywords

Schiff base Thiophene ring Gewald methods

References

  • [38] Spek, A.L. PLATON-a multipurpose crystallographic tool. Utrecht University, Utrecht

Year 2017, Volume: 30 Issue: 3, 255 - 265, 20.09.2017

Naki Çolak Ayla Balaban Gündüzalp Saliha Altıner Zarife Sibel Şahin

Abstract

References

  • [38] Spek, A.L. PLATON-a multipurpose crystallographic tool. Utrecht University, Utrecht
There are 1 citations in total.

Details

Journal Section Chemistry
Authors

Naki Çolak

Ayla Balaban Gündüzalp

Saliha Altıner This is me

Zarife Sibel Şahin This is me

Publication Date September 20, 2017
Published in Issue Year 2017 Volume: 30 Issue: 3

Cite

APA Çolak, N., Balaban Gündüzalp, A., Altıner, S., Şahin, Z. S. (2017). Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System. Gazi University Journal of Science, 30(3), 255-265.
AMA Çolak N, Balaban Gündüzalp A, Altıner S, Şahin ZS. Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System. Gazi University Journal of Science. September 2017;30(3):255-265.
Chicago Çolak, Naki, Ayla Balaban Gündüzalp, Saliha Altıner, and Zarife Sibel Şahin. “Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System”. Gazi University Journal of Science 30, no. 3 (September 2017): 255-65.
EndNote Çolak N, Balaban Gündüzalp A, Altıner S, Şahin ZS (September 1, 2017) Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System. Gazi University Journal of Science 30 3 255–265.
IEEE N. Çolak, A. Balaban Gündüzalp, S. Altıner, and Z. S. Şahin, “Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System”, Gazi University Journal of Science, vol. 30, no. 3, pp. 255–265, 2017.
ISNAD Çolak, Naki et al. “Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System”. Gazi University Journal of Science 30/3 (September 2017), 255-265.
JAMA Çolak N, Balaban Gündüzalp A, Altıner S, Şahin ZS. Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System. Gazi University Journal of Science. 2017;30:255–265.
MLA Çolak, Naki et al. “Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System”. Gazi University Journal of Science, vol. 30, no. 3, 2017, pp. 255-6.
Vancouver Çolak N, Balaban Gündüzalp A, Altıner S, Şahin ZS. Synthesis, Characterization and Theoretical Calculations of Schiff Base Containing Thiophene Ring System. Gazi University Journal of Science. 2017;30(3):255-6.