Yıl 2019, Cilt 20 , Sayı , Sayfalar 105 - 113 2019-12-16

THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION

Nihal KUŞ [1] , Saliha ILICAN [2]


In this study, molecular structure of 1-ethyl-3-methylimidazolium cation (EMIM+) was undertaken at the DFT(B3LYP)/6-311++G(2d,2p) level of approximation using the GAUSSIAN 09 suit of programs. EMIM has two conformers (EMIM-1 and EMIM-2) with minimum energies. EMIM-1 and EMIM-2 were found C1 (double degenerated by-symmetry form) symmetry. Normal coordinate analyses were performed with the BALGA program. Experimental infrared spectra of EMIM were obtained by increasing temperature (between room temperature and 150oC) and compared with calculations. Assignment of the spectra and normal coordinate analyses to characterize the vibrations in EMIM conformers were undertaken. p-electron delocalization through the aromaticity index Harmonic Oscillator Measure of Aromaticity (HOMA) of EMIM calculated using Kruszewski and Krygowski definations.

1-Ethyl-3-methylimidazolium, IR spectra, DFT, HOMA
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Orcid: 0000-0003-4162-7152
Yazar: Nihal KUŞ (Sorumlu Yazar)
Kurum: Eskişehir Teknik Üniversitesi
Ülke: Turkey


Orcid: 0000-0003-4064-4364
Yazar: Saliha ILICAN
Kurum: Eskişehir Teknik Üniversitesi
Ülke: Turkey


Destekleyen Kurum Eskisehir Technical University
Proje Numarası 19ADP130
Teşekkür This work was supported by the Eskisehir Technical University Commission of Research Project under grant no: 19ADP130
Tarihler

Yayımlanma Tarihi : 16 Aralık 2019

Bibtex @araştırma makalesi { estubtda644026, journal = {Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering}, issn = {2667-4211}, address = {btda@anadolu.edu.tr}, publisher = {Eskişehir Teknik Üniversitesi}, year = {2019}, volume = {20}, pages = {105 - 113}, doi = {10.18038/estubtda.644026}, title = {THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION}, key = {cite}, author = {Kuş, Nihal and Ilıcan, Saliha} }
APA Kuş, N , Ilıcan, S . (2019). THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION . Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering , 20 () , 105-113 . DOI: 10.18038/estubtda.644026
MLA Kuş, N , Ilıcan, S . "THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION" . Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering 20 (2019 ): 105-113 <https://dergipark.org.tr/tr/pub/estubtda/issue/50600/644026>
Chicago Kuş, N , Ilıcan, S . "THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION". Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering 20 (2019 ): 105-113
RIS TY - JOUR T1 - THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION AU - Nihal Kuş , Saliha Ilıcan Y1 - 2019 PY - 2019 N1 - doi: 10.18038/estubtda.644026 DO - 10.18038/estubtda.644026 T2 - Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering JF - Journal JO - JOR SP - 105 EP - 113 VL - 20 IS - SN - 2667-4211- M3 - doi: 10.18038/estubtda.644026 UR - https://doi.org/10.18038/estubtda.644026 Y2 - 2019 ER -
EndNote %0 Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION %A Nihal Kuş , Saliha Ilıcan %T THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION %D 2019 %J Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering %P 2667-4211- %V 20 %N %R doi: 10.18038/estubtda.644026 %U 10.18038/estubtda.644026
ISNAD Kuş, Nihal , Ilıcan, Saliha . "THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION". Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering 20 / (Aralık 2019): 105-113 . https://doi.org/10.18038/estubtda.644026
AMA Kuş N , Ilıcan S . THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION. Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering. 2019; 20: 105-113.
Vancouver Kuş N , Ilıcan S . THEORETICAL AND EXPERIMENTAL INFRARED SPECTRUM ANALYSIS OF 1-ETHYL-3-METHYLIMIDAZOLIUM CATION. Eskişehir Technical University Journal of Science and Technology A - Applied Sciences and Engineering. 2019; 20: 105-113.