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Baranipour, Samaneh, Vakili, Haleh, Jahanbin Sardroodi, Jaber. (1402). Effect of the alkyl chain length of Hydrogen bond donor on the intermolecular interaction in eutectic solvents. , 2(2), 85-91. doi: 10.22049/cic.2024.29630.1039
Samaneh Baranipour; Haleh Vakili; Jaber Jahanbin Sardroodi. "Effect of the alkyl chain length of Hydrogen bond donor on the intermolecular interaction in eutectic solvents". , 2, 2, 1402, 85-91. doi: 10.22049/cic.2024.29630.1039
Baranipour, Samaneh, Vakili, Haleh, Jahanbin Sardroodi, Jaber. (1402). 'Effect of the alkyl chain length of Hydrogen bond donor on the intermolecular interaction in eutectic solvents', , 2(2), pp. 85-91. doi: 10.22049/cic.2024.29630.1039
Baranipour, Samaneh, Vakili, Haleh, Jahanbin Sardroodi, Jaber. Effect of the alkyl chain length of Hydrogen bond donor on the intermolecular interaction in eutectic solvents. , 1402; 2(2): 85-91. doi: 10.22049/cic.2024.29630.1039

Effect of the alkyl chain length of Hydrogen bond donor on the intermolecular interaction in eutectic solvents

Communications In Catalysis
دوره 2، شماره 2، فروردین 2024، صفحه 85-91    اصل مقاله (456.45 K)
نوع مقاله: Original Article
شناسه دیجیتال (DOI): 10.22049/cic.2024.29630.1039
نویسندگان
Samaneh Baranipour* 1؛ Haleh Vakili1؛ Jaber Jahanbin Sardroodi* 2
1Molecular Science and Engineering Research Group (MSERG), Molecular Simulation Lab, Azarbaijan Shahid Madani University, Tabriz, Iran
2Molecular Science and Engineering Research Group (MSERG), Department of Chemistry, Molecular Simulation Lab, Azarbaijan Shahid Madani University, Tabriz, Iran
چکیده
Deep eutectic solvents are defined as mixtures with a low melting point compared to the two pure components .DESs are created by combining a salt with a molecular hydrogen bond donor (HBD) which has a clear liquid phase. The binary mixtures of L-menthol and a series of fatty acids such as Acetic acid (C2), Butyric acid (C4), and Lauric acid (C12) have been prepared. The structural properties of the deep eutectic solvents were investigated using radial distribution functions (RDF), combined distribution functions, and hydrogen bond networks. The results proved dipole strong intermolecular dipole-dipole interaction and hydrogen bond network in the deep eutectic solvents.
کلیدواژه‌ها
L-menthol؛ Molecular dynamics simulations؛ Deep eutectic solvents؛ Structural properties؛ Dipole-dipole interaction
مراجع
[1] Smith, E.L.; Abbott, A.P.; Ryder, K.S.; Chem. rev. 2014, 114, 11060-82.

[2] Oshima, T.; Ito, M.; J. nat. med. 2021, 75, 319-25.

[3] O'Connor, S.; Rudkowska, I.; Adv. Food Nutr. Res. 2019, 87, 43-146.

[4] Aouf, C.; Durand, E.; Lecomte, J.; Figueroa-Espinoza, M.-C.; Green Chem. 2014, 16, 1740-54.

[5] Barhaghi, M.S.; Crawford, B.; Schwing, G.; Hardy, D.J.; Stone, J.E.; Schwiebert, L.;  J. Chem. Theory. Comput. 2022, 18, 4983-94.

[6] Balabin, I.A.; Hu, X.; Beratan, D.N.;. J. Comput. Chem. 2012, 33, 906-10.

[7] Pour, S.B.; Sardroodi, J.J.; Ebrahimzadeh, A.R; Fluid Phase Equilibria. 2022, 552, 113241.

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