THE PROTON MAGNETIC RESONANCE OF HgSO4∙1H2O

1967 ◽  
Vol 45 (11) ◽  
pp. 3737-3741 ◽  
Author(s):  
P. W. Lobo Jr. ◽  
J. P. Messa
Keyword(s):  
Hydrogen Bond ◽  
Magnetic Resonance ◽  
Water Molecule ◽  
Single Crystals ◽  
Proton Magnetic Resonance ◽  
Resonance Spectrum ◽  
Proton Magnetic Resonance Spectrum ◽  
The Other ◽  
X Ray ◽  
Crystallographic Axes

The proton magnetic resonance spectrum of single crystals of HgSO∙1H2O has been investigated. This crystal is of interest since, according to the X-ray structure analysis, it appears likely that one of the protons of the water molecule is hydrogen-bonded in the structure, while the other is free. Two non-equivalent sets of parallel H–H vectors have been observed in agreement with the crystal symmetry. The angles of one of the intramolecular H–H vectors with the crystallographic axes are α = 58°, β = 95°, and γ = 36°. The results are consistent with the suggestion that one of the protons does not form a hydrogen bond in the crystal.

The Proton Magnetic Resonance Spectrum of p-Methylbenzylbromide, Conformational Preference of the Bromomethyl Rotor

1974 ◽  
Vol 52 (20) ◽  
pp. 3489-3494 ◽  
Author(s):  
Kalvin Chum ◽  
J. Brian Rowbotham ◽  
Ted Schaefer
Keyword(s):  
Magnetic Resonance ◽  
Long Range ◽  
Alternative Model ◽  
Proton Magnetic Resonance ◽  
Resonance Spectrum ◽  
Proton Magnetic Resonance Spectrum ◽  
Coupling Constants ◽  
The Other ◽  
Complete Analysis ◽  
Conformational Preference

A complete analysis is given of the nine-spinproton magnetic resonance spectrum of p-methylbenzyl bromide as a 20 mol% solution in acetone-d6 The long-range coupling constants between methyl and ring protons are the same as those in toluene. The coupling constants between the methylene protons and the other protons in the molecule are consistent with a two-fold barrier of 500 ± 200 cal/mol for the bromomethyl group, the preferred conformation having the C—Br bond in a plane perpendicular to the aromatic plane. An alternative model, in which a C—H bond of the bromomethyl rotor prefers the aromatic plane to the extent of 3 kcal/mol, is considered unlikely.

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