Raman structural study of ethylene glycol and 1,3-propylene glycol aqueous solutions

被引：15
|
作者：
Liubimovskii, S. O. [1 ,9 ]
Novikov, V. S. [1 ]
Ustynyuk, L. Yu. [2 ]
Ivchenko, P. V. [2 ,3 ]
Prokhorov, K. A. [1 ]
Kuzmin, V. V. [1 ]
Sagitova, E. A. [1 ]
Godyaeva, M. M. [4 ,5 ]
Gudkov, S. V. [1 ,5 ]
Darvin, M. E. [6 ,7 ,8 ]
Nikolaeva, G. Yu. [1 ]
机构：
[1] Russian Acad Sci, Prokhorov Gen Phys Inst, Vavilov Str 38, Moscow 119991, Russia
[2] Moscow MV Lomonosov State Univ, Dept Chem, Leninskie Gory 1 3, Moscow 119991, Russia
[3] Russian Acad Sci, AV Topchiev Inst Petrochem Synth, Leninsky Ave 29, Moscow 119991, Russia
[4] Moscow MV Lomonosov State Univ, Soil Sci Fac, Leninskie Gory 1 12, Moscow 119991, Russia
[5] Fed Sci Agron & Engn Ctr VIM, 1st Institutsky proezd, 5, Moscow 109428, Russia
[6] Charite Univ Med Berlin, Berlin, Germany
[7] Free Univ Berlin, Berlin, Germany
[8] Humboldt Univ, Ctr Expt & Appl Cutaneous Physiol, Dept Dermatol Venerol & Allergol, Chariteplatz 1, D-10117 Berlin, Germany
[9] Prokhorov Gen Phys Inst, Vavilov Str 38, Moscow 119991, Russia
来源：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2023年 / 285卷
关键词：
Raman spectroscopy; Density functional theory; Ethylene glycol; 1,3-Propylene glycol; Aqueous solution; MOLECULAR-DYNAMICS SIMULATION; CONFORMATIONAL-ANALYSIS; H-1-NMR SPECTRA; HYDROGEN-BONDS; GAS-PHASE; LIQUID; 1,3-PROPANEDIOL; 1,2-ETHANEDIOL;
D O I：
10.1016/j.saa.2022.121927
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
Raman spectra of ethylene glycol (EG) and 1,3-propylene glycol (1,3-PG) aqueous solutions with the diol content from 10 to 90 mol% were measured. The diol content weakly influences the EG and 1,3-PG Raman bands in the spectra of the solutions in the region 250-1800 cm(-1). This fact means that the conformational compositions of both the diols do not change significantly with dissolving in water. The intensity of the OH stretching band with respect to the diol bands intensities is the linear function of the ratio of the mole contents of water and the diol in the solutions. The spectral region 2800-3800 cm(-1) can be used to evaluate the chemical composition of these binary solutions. DFT modeling of the Raman spectra of EG molecule in water shell confirms the prevalence of the gauche-conformation of EG in the aqueous solutions.
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页数：10
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