33S NMR spectra of some sulfonated naphthalenes, naphthols, and their anions

1990 ◽  
Vol 55 (2) ◽  
pp. 446-451 ◽  
Author(s):  
Josef Jirman ◽  
Antonín Lyčka
Keyword(s):  
Aqueous Solutions ◽  
Ammonium Sulfate ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Hydroxyl Group ◽  
Upfield Shift ◽  
Sulfonic Group ◽  
Nmr Chemical Shifts ◽  
Downfield Shift ◽  
Nmr Signals

The 33S NMR spectra of 11 naphthalenesulfonates, 11 hydroxynaphthalenesulfonates, two dihydroxynaphthalenesulfonates, and their anions have been measured in aqueous solutions. The 33S NMR chemical shifts of these compounds exhibit upfield shifts when related to ammonium sulfate as the standard. Introduction of a further sulfonic group causes a small upfield shift (up to 3 ppm). Introduction of a hydroxyl group causes a downfield shift (up to 5 ppm) unless the ring is further substituted. Formation of the anion from hydroxyl group causes an additional downfield shift (up to 6 ppm). The half-width of 33S NMR signals of sulfonated naphthalenes, naphthols, and their anions vary from 10 to 400 Hz.

Zusammensetzung von Rohsulfan, Nachweis der Sulfane H2S9 bis H2S35 Composition of Crude Sulfane Oil, Identification of the Sulfanes H2S9 to H2S35

1985 ◽  
Vol 40 (2) ◽  
pp. 263-272 ◽  
Author(s):  
Josef Hahn
Keyword(s):  
Narrow Range ◽  
Benzene Solution ◽  
Chemical Shifts ◽  
Upfield Shift ◽  
Downfield Shift ◽  
H Nmr ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bondings ◽  
Nmr Signals

In benzene solution the position of the 1H NMR signals of sulfanes, H2Sn, strongly depends on the sulfur chain length and on the sulfane concentration. Under proper conditions all sulfanes in a mixture are characterized by well-resolved NMR signals showing a downfield shift with increasing length of the sulfur chain. The shift differences between the higher homologues ( n > 8 ) remain nearly constant, thus allowing the assignment of the signals up to H2S35 and the determination of the complete sulfane distribution in crude oils. In sulfane mixtures without solvent as well as in CS2 and CCl4 solutions, however, H2S8 shows the largest downfield shift. The signals of the higher sulfanes overlap in a narrow range at slightly higher field and cannot be characterized except for the CCl4 solution where an assignment up to H2S11 is possible. The chemical shifts are interpreted in terms of inter- and intramolecular hydrogen bondings. The upfield shift caused by benzene is attributed to the formation of H2Sn · benzene complexes.

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.

scholarly journals 13C and 1H NMR Spectra of Synthetic (25R)-5α-Spirostanes

1999 ◽  
Vol 23 (1) ◽  
pp. 48-49
Author(s):  
Martín A. Iglesias Arteaga ◽  
Carlos S. Pérez Martinez ◽  
Roxana Pérez Gil ◽  
Francisco Coll Manchado
Keyword(s):  
1H Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
1H Nmr Spectra ◽  
H Nmr ◽  
C 23 ◽  
Main Effects ◽  
Nmr Signals

The assignment of 13C and 1H NMR signals of synthetic (25 R)-5α-spirostanes is presented; the main effects on chemical shifts due to substitution at C-23 are briefly discussed.

73Ge, 119Sn and 207Pb: general cooperative effects of single atom ligands on the NMR signals observed in tetrahedral [MXnY4−n] (M = Ge, Sn, Pb; 1 ≤ n ≤ 4; X, Y = Cl, Br, I) coordination compounds of heavier XIV group elements

2017 ◽  
Vol 46 (9) ◽  
pp. 2855-2860 ◽  
Author(s):  
M. Benedetti ◽  
F. De Castro ◽  
F. P. Fanizzi
Keyword(s):  
Linear Relationship ◽  
Coordination Compounds ◽  
Chemical Shifts ◽  
Single Atom ◽  
Ionic Radii ◽  
Nmr Chemical Shifts ◽  
Cooperative Effects ◽  
Nmr Signals

An inverse linear relationship between 73Ge, 119Sn and 207Pb NMR chemical shifts and the sum of ionic radii of coordinated halides has been found in [MXnYm] (M = Ge, Sn, Pb; n + m = 4; X, Y = Cl, Br, I) compounds.

scholarly journals 45Scandium NMR Investigations in Aqueous Solutions

1983 ◽  
Vol 38 (3) ◽  
pp. 317-321 ◽  
Author(s):  
E. Haid ◽  
D. Köhnlein ◽  
G. Kössler ◽  
O. Lutz ◽  
W. Messner ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Larmor Frequency ◽  
Relaxation Rates ◽  
Nmr Chemical Shifts ◽  
Typical Behaviour ◽  
Solvent Isotope ◽  
Scandium Chloride ◽  
Solvent Isotope Effects

Abstract45Sc NMR chemical shifts, linewidths, and longitudinal relaxation rates have been measured in aqueous solutions of scandium chloride and sulphate as a function of the appropriate acid. A common typical behaviour of these parameters without sudden changes has been observed. Also signals in the basic range have been obtained. H2O -D2O solvent isotope effects on Larmor frequency and relaxation rates are presented.

Synthetic, Infrared, 1H and 13C NMR Spectral Studies on N-(2/3/4-Substituted Phenyl)-2,4-Disubstituted Benzenesulphonamides, 2,4-(CH3)2/2-CH3-4-Cl/2,4-Cl2C6H3SO2NH(i-XC6H4) (i-X = H, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl, 4-Cl, 4-F, 4-Br)

2006 ◽  
Vol 61 (10-11) ◽  
pp. 600-606
Author(s):  
Savitha M. Basappa ◽  
Basavalinganadoddy Thimme Gowda
Keyword(s):  
Solid State ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Spectral Studies ◽  
1H And 13C Nmr ◽  
Nmr Chemical Shifts ◽  
Benzene Rings ◽  
Stretching Vibrations ◽  
Absorption Frequencies ◽  
C Nmr

Twenty six N-(2/3/4-substituted phenyl)-2,4-disubstituted benzenesulphonamides of the general formulae 2,4-(CH3)2C6H3SO2NH(i-XC6H4), 2-CH3-4-ClC6H3SO2NH(i-XC6H4) and 2,4- Cl2C6H3SO2NH(i-XC6H4), where i-X = H, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl, 4-Cl, 4-F or 4-Br, have been prepared, characterized and their infrared spectra in the solid state and 1H and 13C NMR spectra in solution studied. The infrared N-H stretching vibrational frequencies vary in the range 3298 - 3233 cm−1. Asymmetric and symmetric SO stretching vibrations appear in the ranges 1373 - 1311 cm−1 and 1177 - 1140 cm−1, respectively, while C-S, S-N and C-N stretching absorptions vary in the ranges 840 - 812 cm−1, 972 - 908 cm−1 and 1295 - 1209 cm−1, respectively. The various 1H and 13C NMR chemical shifts are assigned to the protons and carbon atoms of the two benzene rings in line with those for similar compounds. The incremental shifts due to the groups in the parent compounds have been computed by comparing the chemical shifts of the protons or carbon atoms in these compounds with those of benzene or aniline, respectively. The computed incremental shifts and other data were used to calculate the 1H and 13C NMR chemical shifts of the substituted compounds in three different ways. The calculated chemical shifts by the three methods compared well with each other and with the observed chemical shifts. It is observed that there are no particular trends in the variation of either the infrared absorption frequencies or the chemical shifts with the nature or site of substitution.

The determination of the stereochemistry of epoxides located at the 5,6-positions of decalinic systems: An empirical method based on 13C NMR chemical shifts

2002 ◽  
Vol 80 (7) ◽  
pp. 774-778 ◽  
Author(s):  
Raquel M Cravero ◽  
Guillermo R Labadie ◽  
Manuel González Sierra
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Empirical Method ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts ◽  
Empirical Rule ◽  
C Nmr

The 13C NMR spectra of a series of 5,6-epoxides in decalinic systems were studied. The interpretation of the chemical shifts allowed us to formulate an empirical rule to predict the epoxide stereochemistry. A discussion of the scope and limitations of this method and its extension to larger carbon skeletons is also presented.Key words: epoxide stereochemistry, 13C NMR, NMR, decalinic systems, oxiranes.

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