Yıl 2019, Cilt 7 , Sayı , Sayfalar 363 - 370 2019-11-24

Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one

Murat BEYTUR [1] , Haydar YUKSEK [2]


In this study, 3-methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one was synthesized according to literature. Experimental data were obtained from the literature. The synthesized title compound was optimized by using B3LYP/6-311G(d,p) basis set. 1H-NMR and 13C-NMR spectral data values were calculated according to the method of gauge including atomic orbital (GIAO) and continuous set of gauge transformations (CSGT) methods using the program package Gaussian G09W Software. Experimental and theoretical values were inserted into the graphic according to equitation of δexp=a+b. δ calc. The standard error values were found via SigmaPlot program with regression coefficient of a and b constants. Also, the calculated IR data of compound were calculated in gas phase by using of 6-311G(d,p) basis set of B3LYP method and are multiplied with appropriate adjustment factors. Theoretical infrared spectrums are formed from the data obtained according to B3LYP method. In the identification of calculated IR data was used the veda4f program. The calculated and experimental results were exhibited a very good agreement.
1, 2, 4-Triazol-5-one, GIAO, CSGT, B3LYP, Experimental, Theoretical
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Birincil Dil en
Konular Mühendislik
Bölüm Makaleler
Yazarlar

Yazar: Murat BEYTUR
Kurum: Kafkas University
Ülke: Turkey


Yazar: Haydar YUKSEK
Kurum: Kafkas University
Ülke: Turkey


Tarihler

Yayımlanma Tarihi : 24 Kasım 2019

Bibtex @araştırma makalesi { epstem659555, journal = {The Eurasia Proceedings of Science Technology Engineering and Mathematics}, issn = {}, eissn = {2602-3199}, address = {isresoffice@gmail.com}, publisher = {ISRES Organizasyon Turizm Eğitim Danışmanlık Ltd. Şti.}, year = {2019}, volume = {7}, pages = {363 - 370}, doi = {}, title = {Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one}, key = {cite}, author = {BEYTUR, Murat and YUKSEK, Haydar} }
APA BEYTUR, M , YUKSEK, H . (2019). Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one. The Eurasia Proceedings of Science Technology Engineering and Mathematics , 7 () , 363-370 . Retrieved from https://dergipark.org.tr/tr/pub/epstem/issue/50288/659555
MLA BEYTUR, M , YUKSEK, H . "Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one". The Eurasia Proceedings of Science Technology Engineering and Mathematics 7 (2019 ): 363-370 <https://dergipark.org.tr/tr/pub/epstem/issue/50288/659555>
Chicago BEYTUR, M , YUKSEK, H . "Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one". The Eurasia Proceedings of Science Technology Engineering and Mathematics 7 (2019 ): 363-370
RIS TY - JOUR T1 - Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one AU - Murat BEYTUR , Haydar YUKSEK Y1 - 2019 PY - 2019 N1 - DO - T2 - The Eurasia Proceedings of Science Technology Engineering and Mathematics JF - Journal JO - JOR SP - 363 EP - 370 VL - 7 IS - SN - -2602-3199 M3 - UR - Y2 - 2020 ER -
EndNote %0 The Eurasia Proceedings of Science Technology Engineering and Mathematics Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one %A Murat BEYTUR , Haydar YUKSEK %T Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one %D 2019 %J The Eurasia Proceedings of Science Technology Engineering and Mathematics %P -2602-3199 %V 7 %N %R %U
ISNAD BEYTUR, Murat , YUKSEK, Haydar . "Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one". The Eurasia Proceedings of Science Technology Engineering and Mathematics 7 / (Kasım 2019): 363-370 .
AMA BEYTUR M , YUKSEK H . Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one. EPSTEM. 2019; 7: 363-370.
Vancouver BEYTUR M , YUKSEK H . Evaluation of Theoretical and Experimental Spectroscopic Properties of 3-Methyl-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one. The Eurasia Proceedings of Science Technology Engineering and Mathematics. 2019; 7: 370-363.