NMR Solvents

Acetone- d6 Acetonitrile- d3 Benzene- d6 Chloroform- d1 Deuteriumoxide Dichlormethane- d2 Dimethylformamide- d7 Dimethylsulfoxide- d6 1,4-Dioxane- d8 Ethanol- d6 Formic Acid- d2 Methanol- d4 Nitromethane- d3 Pyridine- d5 Tetrahydrofurane d8 Toluene- d8 Trifluoro acetic acid- d1   Solvents used in NMR- spectroscopy are organic liquids of low viscosity and good solubilizing ability. To prevent overlapping by strong solvent signals in the 1H- NMR- spectroscopy protons need to be exchanged by deuterons. In addition the deuteron resonance serves as lock- signal for the stabilisation of the spectrometer. Common solvents are available in different degrees of deuteration: Degree of deuteration [%] 99 99.5 99.8 99.95 Remaining concentration of protons [mol/l] 0.1 - 0.06 0.05 - 0.03 0.02 - 0.01 0.006 - 0.003 Advisable concentration of substance [mol/l] 0.1 0.05 0.02 0.005

Updated  Wednesday, January 25, 2006    Written by G. Wolf    7220  reads

 

Acetone -d6

NMR- data Chemical shift [ppm] Coupling constants [Hz]   1H 2.05 1J(C,D) 20.0 13C 30.5 2J(H,D) 2.2 205.1 17O 570 Published with permission from Aldrich Chemical Company, Inc. Physical data   Molecular weight [g/mol] 64.12   Density (d 20°/4°) 0.87 Melting point [°C] -94.5 Boiling point [°C] 55 Inflammation temperature [°C] -18 Refraction index (n 20°/D) 1.3565 Dynamic viscosity (20°C) [mPa s] 0.34 Magnetic suszeptibility (20°C) -0.46 x 10^(-6) Dielectrical constant 20.7 Dipole momentum [D] 2.7 Polarity [kJ/mol] 176.6 Donor strength [kJ/mol] 75.7

 

Acetonitrile- d3
NMR- data   Chemical shift [ppm] Coupling constants [Hz]   1H 1.93 1J(C,D) 20.7 13C 1.28 2J(H,D) 2.5 118.1 15N -137.6 (CH3NO2 = 0) Published with permission from Aldrich Chemical Company, Inc. Physical data   Molecular weight [g/mol] 44.05   Density (d 20°/4°) 0.839 Melting point [°C] -42 Boiling point [°C] 79 Inflammation temperature [°C] 5 Refraction index (n 20°/D) 1.342 Dynamic viscosity (20°C) [mPa s] 0.39 Magnetic suszeptibility (20°C) -0.524 x 10^(-6) Dielectrical constant 37.5 Dipole momentum [D] 3.5 Polarity [kJ/mol] 192.5 Donor strength [kJ/mol] 60.3 [1] [2] [3] 下一页
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