کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7639954 | 1494851 | 2018 | 32 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural analysis of natural deep eutectic solvents. Theoretical and experimental study
ترجمه فارسی عنوان
تجزیه و تحلیل ساختاری حلال های طبیعی یوتکتیک عمیق. مطالعه تئوری و تجربی
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
چکیده انگلیسی
A theoretical and experimental study was performed on natural deep eutectic solvents (NADES) formed by lactic acid-glucose (LGH), citric acid-fructose (CFH) and citric acid-glucose (CGH). The presence of nuclear Overhauser effect (NOE) in the proton nuclear magnetic resonance (1H NMR) spectra of the NADES was studied. The spatial proximity between the NADES components was experimentally confirmed by the detection of multiple NOE effects in the dilutions analyzed. LGH showed the best outcome by partially maintaining its supramolecular structure throughout the dilutions. In order to rationalize the intermolecular interactions generated among the components, a theoretical study was performed using a density functional theory (DFT) computational method. A simplified dimeric model of the NADES was selected in order to achieve a rapid screening of the system searching for interactions between their constituents. In agreement with the experimental evidence, the calculations allowed to confirm the spatial proximity, by finding at least two hydrogen bonds between the components of every NADES.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Microchemical Journal - Volume 143, December 2018, Pages 252-258
Journal: Microchemical Journal - Volume 143, December 2018, Pages 252-258
نویسندگان
Pablo L. Pisano, Magdalena Espino, MarÃa de los Ángeles Fernández, MarÃa F. Silva, Alejandro C. Olivieri,