Yıl 2018, Cilt 2, Sayı 1, Sayfalar 74 - 82 2018-03-25

Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid

Muhammet Hakkı Yıldırım [1]

86 121

Detailed infrared spectrum in gas phase, NMR spectra analyses and theoretical studies of 2-amino-3-methylbenzoic acid were performed with DFT/B3LYP/6-311G+(2d,p) level of method in Gaussian 09W. Ground state molecular geometries of monomeric and dimeric structures were calculated in vacuum and compared to the experimental XRD results. Potential energy surface graphics of the proton transfer and torsional tautomerism process were obtained. Also, HOMA aromaticity chancing graphics were drowned in mentioned process. The IR band assignments and the decompositions of potential energy for each band were done using theoretical calculations. 1H and 13C NMR chemical shifts analyses were performed by using GIAO NMR calculations with SCRF solvent model.
Anthranilic acid, FT-IR, NMR, DFT, HOMA analysis
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Birincil Dil en
Konular Fizik ve Fizik Mühendisliği
Dergi Bölümü Araştırma Makaleleri
Yazarlar

Yazar: Muhammet Hakkı Yıldırım (Sorumlu Yazar)
Ülke: Turkey


Bibtex @araştırma makalesi { bilgesci393717, journal = {Bilge International Journal of Science and Technology Research}, issn = {2587-0742}, eissn = {2587-1749}, address = {Kutbilge Akademisyenler Derneği}, year = {2018}, volume = {2}, pages = {74 - 82}, doi = {10.30516/bilgesci.393717}, title = {Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid}, key = {cite}, author = {Yıldırım, Muhammet Hakkı} }
APA Yıldırım, M . (2018). Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid. Bilge International Journal of Science and Technology Research, 2 (1), 74-82. DOI: 10.30516/bilgesci.393717
MLA Yıldırım, M . "Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid". Bilge International Journal of Science and Technology Research 2 (2018): 74-82 <http://dergipark.gov.tr/bilgesci/issue/36277/393717>
Chicago Yıldırım, M . "Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid". Bilge International Journal of Science and Technology Research 2 (2018): 74-82
RIS TY - JOUR T1 - Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid AU - Muhammet Hakkı Yıldırım Y1 - 2018 PY - 2018 N1 - doi: 10.30516/bilgesci.393717 DO - 10.30516/bilgesci.393717 T2 - Bilge International Journal of Science and Technology Research JF - Journal JO - JOR SP - 74 EP - 82 VL - 2 IS - 1 SN - 2587-0742-2587-1749 M3 - doi: 10.30516/bilgesci.393717 UR - http://dx.doi.org/10.30516/bilgesci.393717 Y2 - 2018 ER -
EndNote %0 Bilge International Journal of Science and Technology Research Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid %A Muhammet Hakkı Yıldırım %T Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid %D 2018 %J Bilge International Journal of Science and Technology Research %P 2587-0742-2587-1749 %V 2 %N 1 %R doi: 10.30516/bilgesci.393717 %U 10.30516/bilgesci.393717
ISNAD Yıldırım, Muhammet Hakkı . "Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid". Bilge International Journal of Science and Technology Research 2 / 1 (Mart 2018): 74-82. http://dx.doi.org/10.30516/bilgesci.393717