Structural Studies by Nuclear Magnetic Resonance. IV. Conformations ofsyn-antiIsomers from Chemical Shifts and Spin-Spin Coupling Constants

1963 ◽  
Vol 85 (15) ◽  
pp. 2327-2328 ◽  
Author(s):  
Gerasimos J. Karabatsos ◽  
Robert A. Taller ◽  
Floie M. Vane
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Structural Studies ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling ◽  
Nuclear Magnetic

Long-range 13C, 13C spin–spin coupling constants in anisole and some derivatives

1988 ◽  
Vol 66 (7) ◽  
pp. 1635-1640 ◽  
Author(s):  
Ted Schaefer ◽  
Glenn H. Penner
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Methoxy Group ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Coupling Constant ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling ◽  
Nuclear Magnetic

13C nuclear magnetic resonance chemical shifts and nJ(13C,13C) are reported for anisole and 16 of its derivatives, all enriched with 13C in the methoxyl group. 5J(13C,13C) is directly proportional to sin2θ, where θ is the angle by which the methoxy group twists about the C(1)—O bond. In acetone-d6 solution, 5J(C,C) is not observable for a number of 4-substituted anisoles, except for 1,4-dimethoxybenzene. For the latter, 5J(C,C) is compatible with a twofold barrier of 19.3 ± 1.1 kJ/mol hindering rotation about the C(1)—O bond. However, it is unlikely that the barrier is purely twofold in nature. The observed 5J(C,C) is also compatible with 10.5 and 6.0 kJ/mol for the twofold and fourfold components, respectively, implying a dynamical nuclear magnetic resonance barrier of less than 13 kJ/mol. While phase and solvent effects on the internal barrier in anisole are certainly substantial, it appears that a fourfold component must also be present. The apparent twofold barrier in 2,6-difluoroanisole is 5.4 ± 0.9 kJ/mol, based on 5J(C,C) and 6J(H-4,13C). The latter coupling constant is also reported for 1,2,3-trimethoxybenzene and used to deduce its conformation. The θ dependence of 3J(C,C) and 4J(C,C) is briefly discussed for symmetrical anisole derivatives. Differential 13C, 13C isotope shifts are reported for 1,4-dimethoxybenzene.

PREFERRED RESIDENCE CONFORMATIONS OF DIASTEREOISOMERIC α–β AMINO ALCOHOLS: AN N.M.R. STUDY OF THE EPHEDRINES

1961 ◽  
Vol 39 (12) ◽  
pp. 2536-2542 ◽  
Author(s):  
J. B. Hyne
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Amino Alcohols ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Nuclear Magnetic

Nuclear magnetic resonance spectral results including chemical shifts, anisotropy effects, spin coupling constants, and hydrogen bonding phenomena are presented for the diastereoisomeric pair of α–β amino alcohols (−)-ephedrine and (+)-Ψ-ephedrine. The results are shown to be in keeping with the existence of a preferred residence conformation for each of the diastereoisomers.

Anisotropy of indirect spin–spin coupling constants from nuclear magnetic resonance powder patterns of rigid solids. 1J(31P,199Hg) in [HgP(o-tolyl)3(NO3)2]2

1988 ◽  
Vol 66 (8) ◽  
pp. 1821-1823 ◽  
Author(s):  
Glenn H. Penner ◽  
William P. Power ◽  
Roderick E. Wasylishen
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Coupling Constant ◽  
Spin Coupling Constants ◽  
Fermi Contact ◽  
Spin Spin Coupling ◽  
Contact Mechanism ◽  
Nuclear Magnetic

The anisotropy of the indirect 31P,199Hg spin–spin coupling constant, ΔJ, in solid [HgP(o-tolyl)3(NO3)2]2 is obtained from an analysis of the 31P nuclear magnetic resonance powder pattern. The value of ΔJ, 5170 ± 250 Hz, is large and indicates that mechanisms other than the Fermi contact mechanism are important for this spin–spin coupling. The powder spectrum also indicates that the absolute sign of 1J(31P,199Hg) is positive.

scholarly journals Solvent Effects on Nuclear Magnetic Resonance 2J(C,Hf) and 1J(C,Hf) Spin–Spin Coupling Constants in Acetaldehyde

2003 ◽  
Vol 4 (3) ◽  
pp. 93-106 ◽  
Author(s):  
Daniel Zaccari ◽  
Verónica Barone ◽  
Juan Peralta ◽  
Rubén Contreras ◽  
Oscar Taurian ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Solvent Effects ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling ◽  
Nuclear Magnetic
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