Atomic Reference Scale for Chemical Shifts of Rubidium

1972 ◽  
Vol 27 (11) ◽  
pp. 1577-1581 ◽  
Author(s):  
O. Lutz ◽  
A. Nolle
Keyword(s):  
Infinite Dilution ◽  
Optical Pumping ◽  
Chemical Shifts ◽  
High Accuracy ◽  
Water Molecules ◽  
Solid States ◽  
Reference Scale ◽  
Shielding Constants ◽  
The Difference ◽  
Nmr Signals

Abstract With a multi-nuclei Fourier transform NMR spectrometer the ratio of the Larmor frequencies of 85Rb and 2H in a solution of RbCl in D2O has been measured with high accuracy. The concentration dependence of the 85Rb NMR signals has been determined in solutions of rubidium salts in H2O and D2O. Using this dependence, the ratio of the Larmor frequencies of the 85 Rb nuclei for infinite dilution relative to 2 H in pure D20 is given. From this a gI-factor for 85Rb has been derived and has been compared with the gI-factor of an optical pumping experiment. The difference in the gI-factors results from the shielding of the rubidium nuclei by the water molecules around the ions. The shielding constant is σ(85Rb+) = -2.11 (2) · 10-4 . This yields a general atomic reference scale for the chemical shift of rubidium in the liquid and solid states and the possibility of comparing experimental and theoretical shielding constants.

Untersuchungen über die magnetische Kernresonanz von Alkalikernen in wäßriger Lösung

1968 ◽  
Vol 23 (8) ◽  
pp. 1202-1209 ◽  
Author(s):  
O. Lutz
Keyword(s):  
Aqueous Solutions ◽  
Optical Pumping ◽  
Magnetic Moments ◽  
Water Molecules ◽  
Nuclear Magnetic Moments ◽  
Lanthanide Elements ◽  
Free Ion ◽  
Shielding Constants ◽  
The Difference ◽  
Nmr Signals

The NMR signals of the nuclei 2H, 6Li, 7Li, 23Na, 87Rb and 133Cs have been investigated in aqueous solutions. The ratios of the Larmor-frequencies of these alkali nuclei relative to 2H have been measured with high accuracy. Because the Larmor-frequencies depend on the concentration of the aqueous solutions, an extrapolatiton to vanishing concentration was made. From these ratios of Larmor-frequencies, a magnetic moment for the alkali nuclei has been derived and has been compared with the available nuclear magnetic moments from atomic beam or optical pumping experiments. The difference in the magnetic moments results from the shielding of the alkali nuclei by the water molecules around the ions. The shielding constants are: σ (Rb+) = — (2.0 ± 0.2) ·10-4 and σ (Cs+) = — (3.4 ± 0.1) · 10-4 relative to the free ion.The shift of the 133Cs NMR line as a function of the concentration of aqueous solutions of Cssalts is given in detail. The influence of the chlorides of some elements in the iron group and of some lanthanide elements on the position of the 133Cs NMR line is shown.

Isotropie and Anisotropie Nuclear Magnetic Shielding of 113Cd in Cadmiumhalides, Cadmiumchalcogenides and in Cadmiumcarbonate

1978 ◽  
Vol 33 (6) ◽  
pp. 666-671 ◽  
Author(s):  
A. Nolle
Keyword(s):  
The Other ◽  
Magnetic Shielding ◽  
Axially Symmetric ◽  
Reference Scale ◽  
Cadmium Chalcogenides ◽  
Shielding Constants ◽  
Powder Samples ◽  
Shielding Tensor ◽  
Nmr Signals ◽  
Nuclear Magnetic

Abstract The NMR signals of 113Cd have been observed in powder samples of the cadmium halides CdF2, CdCl2, CdBr2· 4H2O, Cdl2, of the cadmium chalcogenides CdO, CdS, CdSe, CdTe and of CdCO3 . For 113Cd in CdCl2 , CdBr2-4H2O, CdS and in CdSe anisotropics of the nuclear magnetic shielding have been detected. The shielding tensor in these powders is axially symmetric. For the other specimens no anisotropics of the magnetic shielding have been found. The principal values of the magnetic shielding tensor and the shielding constants are given in an atomic reference scale.

55Mn NMR Studies in Aqueous Permanganate Solutions

1974 ◽  
Vol 29 (10) ◽  
pp. 1467-1470 ◽  
Author(s):  
O. Lutz ◽  
W. Steinkilberg
Keyword(s):  
Chemical Shift ◽  
Aqueous Solutions ◽  
Concentration Dependence ◽  
Magnetic Moment ◽  
Infinite Dilution ◽  
High Accuracy ◽  
Solvent Isotope Effect ◽  
Nmr Studies ◽  
Solvent Isotope ◽  
Nmr Signals

Abstract The NMR signals of the nuclei 55Mn and 2H have been investigated in aqueous solutions of permanganates. The concentration dependence of the NMR signals of 55Mn has been determined in potassium permanganate solutions in H2O and D2O and a large solvent isotope effect on the chemical shift of 55Mn has been established. The ratio of the Larmor frequencies of 55Mn relative to 2H has been measured with high accuracy. Using the concentration dependence, the ratio of the Larmor frequencies of 55Mn for infinite dilution relative to 2H in pure D2O is given. From this ratio a magnetic moment for 55Mn in the permanganate ion has been derived.

Nuclear Magnetic Resonance Studies of 35Cl, 37Cl, 79Br, and 81Br in Aqueous Solution

1972 ◽  
Vol 27 (1) ◽  
pp. 72-76 ◽  
Author(s):  
J. Blaser ◽  
O. Lutz ◽  
W. Steinkilberg
Keyword(s):  
Aqueous Solution ◽  
Concentration Dependence ◽  
Infinite Dilution ◽  
Magnetic Moments ◽  
Alkali Halides ◽  
High Accuracy ◽  
Solvent Isotope Effect ◽  
Magnetic Resonance Studies ◽  
Solvent Isotope ◽  
Nmr Signals

Abstract The NMR signals of the nuclei 2H, 35Cl, 37Cl, 79Br and 81Br have been investigated in aqueous solutions. The concentration dependence of the NMR signals of 35Cl and 81Br has been determined in solutions of alkali halides and alkali perchlorates in H2O and D2O and the large solvent isotope effect on the chemical shift has been established. The ratios of the Larmor frequencies of the halide nuclei relative to 2H have been measured with high accuracy. Using the concentration dependence, the ratios of the Larmor frequencies of the halide nuclei for infinite dilution relative to 2H in pure D2O are given. From these ratios, magnetic moments for the halide nuclei have been derived.

123Te and 125Te Fourier Transform NMR Investigations

1977 ◽  
Vol 32 (11) ◽  
pp. 1263-1265 ◽  
Author(s):  
K. U. Buckler ◽  
J. Kronenbitter ◽  
. Lutz ◽  
A. Nollle
Keyword(s):  
Fourier Transform ◽  
Nuclear Overhauser Effect ◽  
Chemical Shifts ◽  
Magnetic Moments ◽  
Relaxation Times ◽  
Dipole Interaction ◽  
High Accuracy ◽  
Overhauser Effect ◽  
Nuclear Overhauser ◽  
Nmr Signals

Abstract The NMR signals of 123Te and 125Te have been observed in solutions of K2TeO3 and Na2TeO3 in D2O. In these solutions the ratios of Larmor frequencies ν(125Te)/ν(123Te), ν(125Te)/v(2H) and ν(125Te)/ν(23Na) have been determined with high accuracy. With the measured chemical shifts of 2H, 23Na, 125Te relative to infinitely diluted solutions the ratios of the Larmor frequencies are extrapolated and values of the magnetic moments are given. The relaxation times T1 and T2 are very different for 125Te in TeO32-: a ratio T1/T2 of 8.2 ± 0.4 has been found. No nuclear Overhauser effect due to dipole-dipole interaction of 125Te with the water protons has been detected.

scholarly journals Exploratory machine-learned theoretical chemical shifts can closely predict metabolic mixture signals

2018 ◽  
Vol 9 (43) ◽  
pp. 8213-8220 ◽  
Author(s):  
Kengo Ito ◽  
Yuka Obuchi ◽  
Eisuke Chikayama ◽  
Yasuhiro Date ◽  
Jun Kikuchi
Keyword(s):  
Chemical Shifts ◽  
High Accuracy ◽  
Nmr Signals

Exploratory machine-learned model can predict the experimental chemical shifts with high accuracy, and the corrected theoretical values can be used to assign NMR signals in molecular complexities.

scholarly journals Fourier Transform NM R Investigations of 77Se in Aqueous Solutions

1978 ◽  
Vol 33 (9) ◽  
pp. 1025-1028 ◽  
Author(s):  
W. Koch ◽  
O. Lutz ◽  
A. Nolle
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Aqueous Solutions ◽  
Magnetic Moment ◽  
Infinite Dilution ◽  
Chemical Shifts ◽  
Relaxation Times ◽  
Recovery Method ◽  
A Value ◽  
Nmr Signals

In solutions of H2SeO3, Na2SeO3 , NaHSeO3 and Na2SeO4 in H2O NMR signals of 77Se have been observed. In these solutions chemical shifts were determined. In a 4 molal solution of Na2SeO3 the ratio of Larmor frequencies υ(77Se)/υ(1H) has been measured with a high-resolution probe. A value of the magnetic moment of 77Se in Na2SeO3 at infinite dilution in H2O is given: |μ(77Se)| = 0.533 299 6(7)μN. Relaxation times T1 have been measured by the inversion-recovery method. In a 4 molal solution of Na2SeO3 in H2O a NOE enhancement of 0.4(1) could be observed.

Fourier Transform NMR Studies of 95Mo and 97Mo

1976 ◽  
Vol 31 (3-4) ◽  
pp. 351-356 ◽  
Author(s):  
W. D. Kautt ◽  
H. Krüger ◽  
O. Lutz ◽  
H. Maier ◽  
A. Nolle
Keyword(s):  
Fourier Transform ◽  
Magnetic Moment ◽  
Chemical Shifts ◽  
Larmor Frequency ◽  
High Accuracy ◽  
Nuclear Magnetic Moment ◽  
Nmr Studies ◽  
Line Widths ◽  
And Shifts ◽  
Nmr Signals

95Mo and 97Mo Fourier transform NMR studies of several alkali molybdate solutions in H2O and D2O are reported. The Larmor frequency of the molybdenum nuclides is remarkably dependent on the solute and the solvent.In potassium molybdate the chemical shifts of 39K were observed. The ratio of the Larmor frequencies of 95Mo and 39K was measured with high accuracy in a 2.6 molal solution of K2MoO4 in H2O. From this value a nuclear magnetic moment of 95Mo and 97Mo in the molybdate ion was derived using the concentration dependencies of the Larmor frequencies of 39K and 95Mo and the ratio of the Larmor frequencies of 97Mo and 95Mo.In solid Ag2MoO4 and metallic molybdenum the 95Mo and 97Mo NMR signals were detected; line widths and shifts are given.

107Ag and 109Ag Nuclear Magnetic Resonance Studies of Ag+ Ions in Aqueous Solutions

1973 ◽  
Vol 28 (11) ◽  
pp. 1753-1758 ◽  
Author(s):  
C.-W. Burges ◽  
R. Koschmieder ◽  
W. Sahm ◽  
A. Schwenk
Keyword(s):  
Aqueous Solutions ◽  
Infinite Dilution ◽  
Magnetic Moments ◽  
Relaxation Times ◽  
Isotopic Effect ◽  
Water Molecules ◽  
Resonance Frequencies ◽  
Beam Experiment ◽  
The Difference ◽  
Limits Of Error

The NMR lines of 107Ag and 109Ag have been investigated in aqueous solutions of AgF, AgNO3, and AgClO4. The ratio of the Larmor frequencies of 109Ag and 107Ag has been measured in various samples: ν(109Ag)/ν(107Ag) = 1.149 639 7 (8). No primary isotopic effect was to be detected within these limits of error (0.7 ppm). This ratio yields the hyperfine structure anomaly 107⊿109 = − 0.004127 7(7). The concentration dependence of the chemical shift of the 107Ag and 109Ag resonance frequencies was determined. Using this dependence, the ratios of the Larmor frequencies of the 107Ag and 109Ag nuclei for infinite dilution relative to the resonance frequency of 73Ge in GeCl4 are given. The magnetic moments of the 107Ag+ and 109Ag+ ions merely surrounded by water molecules are μ(107Ag+) = − 0.113 045 3(9) μN and μ(109Ag+) = − 0.129 961 5(10) μN without diamagnetic corrections. These values are compared with the result of an atomic beam experiment, the difference of the moments is due to the shielding of the silver nuclei by water molecules around the ions. The shielding constant is σ* (Ag+ in H2O vs. Ag atom) = − 0.000 94(17). Preliminary values of the relaxation times are given.

Carbon-13 and nitrogen-14 NMR spectra of 1-(substituted phenyl)pyridinium salts

1980 ◽  
Vol 45 (10) ◽  
pp. 2766-2771 ◽  
Author(s):  
Antonín Lyčka
Keyword(s):  
Heavy Water ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Pyridinium Salts ◽  
Nmr Signals ◽  
C Nmr

The 13C and 14N NMR spectra of 1M solutions of 1-(substituted phenyl)pyridinium salts (4-CH3, 4-OCH3, H, 4-Cl, 4-Br, 4-I, 3-NO2, 4-NO2, 2,4-(NO2)2 (the 13C NMR only)) have been measured in heavy water at 30 °C. The 13C and 14N chemical shifts, the 1J(CH) coupling constants, some 3J(CH) coupling constants, and values of half-widths Δ 1/2 of the 14N NMR signals are given. The 13C chemical shifts of C(4) correlate with the σ0 constants (δC(4) = (1.79 ± 0.097) σ0 + (147.67 ± 0.041)), whereas no correlation of the nitrogen chemical shifts with the σ constants has been found. The half-widths Δ 1/2 correlate with the σ0 constants (Δ 1/2 = (76.2 ± 4.9) σ0 + (106.4 ± 2.2)) except for 1-phenylpyridinium chloride.

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