Variable temperature 1H and 13C NMR study of restricted rotation in N,N-bis(2-hydroxyethyl)acetamide
نویسندگان
چکیده
منابع مشابه
Thermodynamics, Solvents effects and 1H ,13C NMR Shielding :Theoretical studies of Adamantane
Some of the Adamantane properties were calculated in this study. Chemical shift, free energy ofsolvation, free energy of cavity formation, Henry's law constant, and other properties ofAdamantane in dry phase, three solvents and three temperatures have been calculated with Abinitio method base on density functional theory (DFT) at B3lyp/6-31g, B31yp/6-31g*, B3lyp/6-31+g* and B3lyp/6-31++g** leve...
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A simple method for obtaining 1H–13C HETCOR solid-state NMR spectra reflecting only mediumand long-range 1H–13C correlation peaks is presented. By dephasing the magnetization of protons directly bonded to a 13C nucleus, the short-range correlation peaks, which contain limited structural information, can be cleanly suppressed without reducing the long-range cross peaks significantly. The resulti...
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The ionic liquid 1-decyl-3-methyl-imidazolium bromide [C10mim][Br], the neat material, and also dissolved (~0.01 mole fraction) in various dielectric media (acetonitrile, benzene, chloroform, dichloromethane, methanol, 2-butanol and H2O) was studied using 1H and 13C NMR spectroscopy. The most important interaction in this compound is considered to be the Br-...H-C2+ hydrogen bond, which is form...
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A simple database of (13)C/(1)H-(13)C spectral lists for 11 673 natural products was created in standard commercial database format. Over 50% of the spectra were predicted using HOSE code descriptors derived from the 50% of spectra having experimental values. Prediction errors obtained by prediction of and comparison to the experimental spectra revealed an exponentially decaying dependence betw...
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ژورنال
عنوان ژورنال: Journal of Molecular Structure
سال: 2016
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2016.02.030