Chemical shifts in the nuclear magnetic resonance spectra of molecules containing polar groups
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In this paper, it was shown that the electric field at a particular nucleus arising from polar groups in other parts of a molecule can lead to chemical shifts proportional to the first power of the field strength.Abstract:
It is shown that the electric field at a particular nucleus arising from polar groups in other parts of a molecule can lead to chemical shifts proportional to the first power of the field strength....read more
Citations
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Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin-Spin Coupling Constants
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Proton Resonance Shift of Water in the Gas and Liquid States
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Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts.
TL;DR: It is suggested that if NMR-derived structures could be refined using heteronuclear chemical shifts calculated by SHIFTX, their precision could approach that of the highest resolution X-ray structures.
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Protonenresonanzspektrosopie und Steroidstruktur. II. Die Lage der C‐18‐ und C‐19‐Methylsignale in Abhängigkeit von den Substituenten am Steroidgerüst
TL;DR: In this paper, the chemical shifts of the 18-and 19-hydrogen atoms of 265 steroids of known structure have been recorded for 0-1M solutions in deuterochloroform and the positions of the signals of the 17-and 18-hydrogens atoms have been measured.
References
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Journal ArticleDOI
A Note on the Fluorine Resonance Shifts
A. Saika,Charles P. Slichter +1 more
TL;DR: In this article, a theoretical analysis of the fluorine magnetic resonance shifts in molecules is given, and it is shown that the large range of shifts among different fluorine compounds arises from the effects of binding on the magnetic fields at the nucleus produced by the orbital motion of the electrons in the unfilled valence shell.
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Proton Magnetic Resonance Chemical Shift of Free (Gaseous) and Associated (Liquid) Hydride Molecules
TL;DR: In this article, the authors studied the factors giving rise to proton resonance chemical shifts of free molecules, as well as the association shifts due to hydrogen bonding, and found that the proton signals measured in the liquid state near the melting point, which correspond to maximum association, show large shifts to lower magnetic field relative to the corresponding gas signals.
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Direct Method of Measuring Molecular Quadrupole Moments
TL;DR: In this article, the authors proposed an experiment whose object is the determination of permanent molecular quadrupole moments, which is analogous to those used in measurements of electrooptical Kerr constants, but the uniform electric field proportional to the applied voltage V is replaced by the field gradient of a square fourwire condenser.
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Nuclear magnetic shielding of a hydrogen atom in an electric field
T.W. Marshall,J.A. Pople +1 more
TL;DR: In this paper, the nuclear magnetic screening constant of a hydrogen atom in a uniform electric field is calculated, neglecting any effect of electron spin, and the screening is found to be reduced by the electric field for all directions of the applied magnetic field, the reduction being greatest if the two fields are perpendicular.