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Deuterated solvents - a group of compounds in which one or more hydrogen atoms have been replaced with deuterium (2H) - are the backbone of nuclear magnetic resonance (NMR) spectroscopy. These solvents are required to make good NMR spectra, especially proton (1H) NMR where the solvent signal can be too strong for the signal being monitored. Using deuterated solvents, the solvent signal is removed to make the spectral analysis clearer and more precise.
Some of the most commonly used deuterated solvents in NMR spectroscopy include deuterium oxide (D2O), chloroform-D (CDCl3), dimethyl sulfoxide-D6 (DMSO-D6), methanol-D4 (CD3OD), and acetonitrile-D3 (CD3CN). Alfa Chemistry offers a wide range of high-quality deuterated solvents in various grades, ensuring you have the right tools for your specific needs.
Properties: D2O has a higher boiling point and density than H2O.
Applications:
Properties: CD3OD is a polar solvent with a high dielectric constant.
Applications:
Properties: CDCl3 is a non-polar solvent with a low dielectric constant.
Applications:
Properties: DMSO-D6 is a polar aprotic solvent with excellent solubility properties.
Applications:
Alfa Chemistry implements rigorous quality control protocols to ensure the highest purity and isotopic enrichment of our deuterated solvents. Each lot undergoes thorough testing to guarantee optimal performance in modern high-field NMR instruments. Alfa Chemistry has summarized some NMR solvent use, handling, and storage tips for you below:
To determine the acidity of deuterium oxide (D2O) solutions, calculate the pD by adding 0.4 to the reading obtained from a glass electrode pH meter.
DMSO has an 18°C melting point and sometimes turns solid because its freezing point is relatively low – not very cold at all. To convert it back to a liquid state, thaw DMSO in a warm water bath, ensuring that water contamination is avoided.
To prevent isotopic contamination, especially with deuterated compounds, handle solvents under an inert atmosphere, such as dry nitrogen or argon.
Water contamination is a common issue that can degrade NMR spectra. To minimize water peaks:
If you do not want the solvents containing TMS to evaporate, then please keep the solvents cool and dry in a refrigerator. It's also important to seal the container well so as not to let in air.
We recommend that you store serum bottles upright in the refrigerator, but do not freeze them, especially for solvents such as chloroform, ether, diglyme, tetrahydrofuran, and TMS.
Alfa Chemistry's NMR Solvents Data Chart is a comprehensive resource that integrates key information such as coupling values, chemical shifts, melting and boiling points, molecular weight, density, and CAS numbers.
Alfa Chemistry gives you references for the chemical shifts of common solvent impurities in NMR. You can discover the common solvent residual peaks in 1H NMR and 13C NMR by compound class, including acids, alcohols, aromatic amines, halogenated hydrocarbons, esters, and ketones.
It is in short, lock the field accurately, that is to maintain the stability of magnetic field strength. The popular isotope for 1H NMR spectra is deuterium, whose chemical shift differs so much from that of proton (1H). That is, the signal from the deuterated solvent won't conflict with the signal from the sample.
Many researchers will first calibrate the chemical shift of the deuterated solvent peak, and then calibrate the position of other peaks. For example, in common deuterated solvents such as CDCl3, CD3OD, and D2O, the chemical shift values of protons are approximately 7.26, 3.31, and 4.80 ppm, respectively. In addition, some researchers like to use TMS internal standard (0.00ppm). So which one is more suitable for reference between the two?
In 2022, Professor Thomas R. Hoye's team from the University of Minnesota wrote an article in JOC, reporting some of their previous experimental research results. This study may answer your questions. They studied TMS and deuterated chloroform together and compared their accuracy. They found that: Overall, the methyl protons on TMS are not completely inert, but compared with the residual protons of deuterated chloroform, they are more stable. In the absence of other options, TMS calibration is naturally the best choice. [1]
It is generally feasible to identify samples for yourself use. When entering the instrument, just enter the one with a higher concentration as the solvent. Because the deuterium in the mixed solvent can still help the instrument lock accurately, it is just that the concentration has changed, which does not hinder the instrument from locking accurately. This also applies to quantitative NMR. However, it is rarely used in practice because there is a nearly universal deuterated reagent such as deuterated DMSO.
When choosing a deuterated solvent, please consider the polarity, solubility and chemical properties of the analyte, and refer to our NMR solvent data sheet. Of course, Alfa Chemistry's dedicated team is always ready to recommend the best combination of deuterated solvents for your research project.
Alfa Chemistry is committed to becoming a leading manufacturer and supplier focusing on providing stable isotope compounds and related services.
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