Correlation of Proton Magnetic Resonance Chemical Shifts with Electronegativities of Substituents

1953 ◽  
Vol 21 (10) ◽  
pp. 1899-1900 ◽  
Author(s):  
James N. Shoolery
Keyword(s):  
Magnetic Resonance ◽  
Proton Magnetic Resonance ◽  
Chemical Shifts

Proton magnetic resonance studies at 220 MHz of alanine transfer RNA

1969 ◽  
Vol 47 (4) ◽  
pp. 480-484 ◽  
Author(s):  
Ian C. P. Smith ◽  
Tetsuo Yamane ◽  
R. G. Shulman
Keyword(s):  
Magnetic Resonance ◽  
Proton Magnetic Resonance ◽  
Chemical Shifts ◽  
Transfer Rna ◽  
Magnetic Resonance Studies ◽  
The Common ◽  
Line Widths ◽  
Increasing Temperature ◽  
Magnetic Resonance Spectra

Proton magnetic resonance spectra at 220 MHz of alanine transfer RNA do not permit assignments of individual peaks due to each of the common bases; only a peak attributable to protons at position eight in adenine can be assigned with certainty. Measurements of the relative areas of proton magnetic resonance peaks due to the base and ribose-1′ protons indicate that the ribose moieties of tRNA are not involved in bonds stronger than those experienced by the bases. Proton magnetic resonance peaks attributable to the methyl and dihydro protons of the rare bases can be distinguished in the 220 MHz spectra; the variation of their line widths and chemical shifts with increasing temperature indicates that the rare bases are located in regions of the alanine transfer RNA molecule which are more highly organized than indicated by an open cloverleaf model.

Proton magnetic resonance spectra of some benzo[b]thiophens. An investigation of substituent effects in a heteroaromatic system

1968 ◽  
Vol 21 (7) ◽  
pp. 1853 ◽  
Author(s):  
B Caddy ◽  
M Martin-Smith ◽  
RK Norris ◽  
ST Reid ◽  
S Sternhell
Keyword(s):  
Magnetic Resonance ◽  
Long Range ◽  
Proton Magnetic Resonance ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Spin Coupling ◽  
Heteroaromatic System ◽  
Spin Spin Coupling ◽  
Magnetic Resonance Spectra

N.m.r. data for 19 5-substituted and 13 polysubstituted benzo[b]thiophens are tabulated. The influence of the substituents at C5 on the chemical shifts of H4 and H6 is discussed. Long-range interproton spin-spin coupling between H3 and H7, and between H2 and H6, is general in benzo[b]thiophens. The vicinal coupling J6,7 in 5-substituted benzo[b]thiophens varies directly and linearly with the electronegativity of the substituents at C5.

Protonenresonanz-Spektroskopie ungesättigter Ringsysteme I

1965 ◽  
Vol 20 (10) ◽  
pp. 948-956 ◽  
Author(s):  
Harald Günther
Keyword(s):  
Magnetic Resonance ◽  
Concentration Dependence ◽  
Proton Magnetic Resonance ◽  
Chemical Shifts ◽  
Electron System ◽  
Coupling Constants ◽  
Resonance Signal ◽  
Aromatic Character ◽  
Additional Support ◽  
Magnetic Resonance Spectra

The proton magnetic resonance spectra of 1.6-methano- and 1.6-oxido-cyclodecapentaene are described and analyzed in terms of chemical shifts and coupling constants. The results are discussed in connection with the structure and possible aromatic character of these compounds. Measurements of the concentration dependence of the chloroform resonance signal in solutions of both compounds give additional support for the presence of a delocalized 10 π-electron system.

Effect of solvent and anion upon the proton magnetic resonance spectrum of the 1-methylpyridinium ion

1968 ◽  
Vol 46 (17) ◽  
pp. 2787-2791 ◽  
Author(s):  
W. F. Reynolds ◽  
U. R. Priller
Keyword(s):  
Magnetic Resonance ◽  
Proton Magnetic Resonance ◽  
Chemical Shifts ◽  
Proton Magnetic Resonance Spectrum ◽  
Concentrated Solutions ◽  
Nonpolar Medium ◽  
Ion Proton ◽  
Acetonitrile Solutions ◽  
Proton Chemical Shifts ◽  
Pyridinium Ion

The proton magnetic resonance spectra of 1-methylpyridinium bromide and iodide have been measured over a range of concentrations in different solvents. It is found that, with the exception of acetonitrile solutions, the infinite dilution chemical shifts are related to solvent dielectric constant. Extrapolated shifts for a nonpolar medium agree with previously calculated chemical shifts for the pyridinium ion. Proton chemical shifts in concentrated solutions are affected by cation–anion interactions. These interactions are interpreted in terms of ion pair formation.

The analysis of the proton magnetic resonance spectra of heteroaromatic systems. V. Diazanaphthalenes

1965 ◽  
Vol 18 (5) ◽  
pp. 707 ◽  
Author(s):  
PJ Black ◽  
ML Heffernan
Keyword(s):  
Carbon Tetrachloride ◽  
Magnetic Resonance ◽  
Long Range ◽  
Iterative Procedure ◽  
Proton Magnetic Resonance ◽  
Chemical Shifts ◽  
Direct Calculation ◽  
Coupling Constants ◽  
Dilute Solutions ◽  
Magnetic Resonance Spectra

The proton magnetic resonance spectra of the four isomeric diazanaphthalenes, quinoxaline, phthalazine, quinazoline, and cinnoline, all as dilute solutions in carbon tetrachloride and acetone, have been investigated at 100 Mc/s. The chemical shifts and coupling constants have been obtained by direct calculation or, where appropriate, by an iterative procedure. Long-range coupling constants between protons separated by five and six bonds have been observed.

Self Association of Folic Acid in Aqueous Solution by Proton Magnetic Resonance

1972 ◽  
Vol 50 (14) ◽  
pp. 2357-2363 ◽  
Author(s):  
Yui-Fai Lam ◽  
George Kotowycz
Keyword(s):  
Aqueous Solution ◽  
Folic Acid ◽  
Magnetic Resonance ◽  
Proton Magnetic Resonance ◽  
Chemical Shifts ◽  
Disodium Salt ◽  
Intermolecular Association ◽  
Self Association ◽  
Hydrophobic Portion ◽  
Proton Chemical Shifts

Proton magnetic resonance experiments on the disodium salt of folic acid in aqueous solutions (pD 7.1) indicate that the folate ion exists in an unfolded, extended conformation in solution. However, based on a temperature and concentration dependence of the proton chemical shifts, folate ions are involved in intermolecular association consisting of a vertical stacking interaction. A stacking model is proposed for the association with the hydrophilic ends of the molecule alternating in orientation with respect to the hydrophobic portion of the neighboring molecules.

A PROTON MAGNETIC RESONANCE STUDY OF N-BIS(2-HALOETHYL)AMINES

1965 ◽  
Vol 43 (6) ◽  
pp. 1792-1797 ◽  
Author(s):  
George R. Pettit ◽  
Joseph A. Settepani ◽  
Ralph A. Hill
Keyword(s):  
Magnetic Resonance ◽  
Proton Magnetic Resonance ◽  
Nitrogen Mustard ◽  
Chemical Shifts ◽  
Deuterium Oxide ◽  
The Self ◽  
Magnetic Resonance Study ◽  
Complex Series ◽  
Condensation Reactions ◽  
Proton Magnetic Resonance Study

The proton magnetic resonance chemical shifts of N-bis(2-haloethyl)amine hydrohalide salts have been found useful for rapidly assessing organohalide composition. An important illustration of nitogen mustard reactivity was obtained by observing the p.m.r. response of N-bis(2-haloethyl)amine hydrohalide salts (in deuterium oxide) following neutralization. In general, the amines rapidly entered a complex series of intra- and inter-molecular reactions. Among the substances studied N-bis(2-fluoroethyl)amine was by far the most stable and remained essentially unchanged during a 7-day period. By contrast N-bis(2-iodoethyl)amine was completely transformed in less than 6 min. The self-condensation reactions of, for example, N-bis(2-chloroethyl)amine appear to be accompanied by transient formation of N-2-chloroethylaziridine (IIIb). The present investigation indicates that p.m.r. spectroscopy is a valuable technique for evaluating the course of nitrogen mustard self-condensation reactions.

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