Cilt 13, Sayı 4, Sayfalar 851 - 861 2017-12-29

Structure, Spectroscopic and Quantum Chemical Investigations of 4-Amino-2-Methyl-8-(Trifluoromethyl)Quinoline

Tevfik Raci Sertbakan [1]

27 23

This work deals with the spectroscopic properties (FT-IR, FT-Raman and NMR), structural and some electronic properties as well as theoretical calculations of 4-amino-2-methyl-8-(trifluoromethyl) quinoline (AMTQ) molecule. The vibrational, structural and some electronic properties observations of the AMTQ were reported, which is investigated using some spectral methods and DFT calculations. FT-IR and FT-Raman spectra were obtained for AMTQ at room temperature in the region 4000 cm-1- 400 cm-1 and 3500-50 cm-1, respectively.  In the DFT calculations, the B3LYP functional with cc-pVDZ, cc-pVTZ and cc-pVQZ basis sets was applied to carry out the quantum mechanical calculations of the spectroscopic, structural and some electronic properties of AMTQ. FT-IR and FT-Raman spectra were interpreted with the by using of normal coordinate analysis based on scaled quantum mechanical force field. The present work expands our understanding of the both the vibrational and structural properties as well as some electronic properties of the AMTQ by means of the theoretical and experimental methods.

4-amino-2-methyl-8-(trifluoromethyl)quinoline,FT-IR and FT-Raman spectra,NMR spectra,DFT,Electronic properties
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Yazar: Tevfik Raci Sertbakan
E-posta: trsertbakan@ahievran.edu.tr
Ülke: Turkey


Bibtex @araştırma makalesi { cbayarfbe339858, journal = {Celal Bayar Üniversitesi Fen Bilimleri Dergisi}, issn = {1305-130X}, address = {Celal Bayar Üniversitesi}, year = {2017}, volume = {13}, pages = {851 - 861}, doi = {10.18466/cbayarfbe.339858}, title = {Structure, Spectroscopic and Quantum Chemical Investigations of 4-Amino-2-Methyl-8-(Trifluoromethyl)Quinoline}, language = {en}, key = {cite}, author = {Sertbakan, Tevfik Raci} }
APA Sertbakan, T . (2017). Structure, Spectroscopic and Quantum Chemical Investigations of 4-Amino-2-Methyl-8-(Trifluoromethyl)Quinoline. Celal Bayar Üniversitesi Fen Bilimleri Dergisi, 13 (4), 851-861. DOI: 10.18466/cbayarfbe.339858
MLA Sertbakan, T . "Structure, Spectroscopic and Quantum Chemical Investigations of 4-Amino-2-Methyl-8-(Trifluoromethyl)Quinoline". Celal Bayar Üniversitesi Fen Bilimleri Dergisi 13 (2017): 851-861 <http://dergipark.gov.tr/cbayarfbe/issue/33464/339858>
Chicago Sertbakan, T . "Structure, Spectroscopic and Quantum Chemical Investigations of 4-Amino-2-Methyl-8-(Trifluoromethyl)Quinoline". Celal Bayar Üniversitesi Fen Bilimleri Dergisi 13 (2017): 851-861
RIS TY - JOUR T1 - Structure, Spectroscopic and Quantum Chemical Investigations of 4-Amino-2-Methyl-8-(Trifluoromethyl)Quinoline AU - Tevfik Raci Sertbakan Y1 - 2017 PY - 2017 N1 - doi: 10.18466/cbayarfbe.339858 DO - 10.18466/cbayarfbe.339858 T2 - Celal Bayar Üniversitesi Fen Bilimleri Dergisi JF - Journal JO - JOR SP - 851 EP - 861 VL - 13 IS - 4 SN - 1305-130X-1305-1385 M3 - doi: 10.18466/cbayarfbe.339858 UR - http://dx.doi.org/10.18466/cbayarfbe.339858 Y2 - 2017 ER -
EndNote %0 Celal Bayar Üniversitesi Fen Bilimleri Dergisi Structure, Spectroscopic and Quantum Chemical Investigations of 4-Amino-2-Methyl-8-(Trifluoromethyl)Quinoline %A Tevfik Raci Sertbakan %T Structure, Spectroscopic and Quantum Chemical Investigations of 4-Amino-2-Methyl-8-(Trifluoromethyl)Quinoline %D 2017 %J Celal Bayar Üniversitesi Fen Bilimleri Dergisi %P 1305-130X-1305-1385 %V 13 %N 4 %R doi: 10.18466/cbayarfbe.339858 %U 10.18466/cbayarfbe.339858