Journal ArticleDOI
Study of the intrinsic and conformational solvent effects on the chemical shift of the aldehydic proton in furfural and thiophenealdehyde
TLDR
In this article, the chemical shifts of the aldehydic proton in furfural, thiophenealdehyde and benzaldehyde have been measured in fourteen solvents, and the correlation of chemical shifts was shown to correlate with benzaldehyde, (r = 0·992; 0·993).Abstract:
The chemical shifts of the aldehydic proton in furfural, thiophenealdehyde and benzaldehyde have been measured in fourteen solvents. The correlation of the chemical shifts of thiophenealdehyde and benzaldehyde is excellent (r = 0·996) while it is lower for furfural–benzaldehyde (r = 0·956). The long range coupling constant Jα5 of furiurai has been measured in twelve solvents and the rotameric mole fractions determined. The chemical shifts of individual rotamers are calculated and shown to correlate with benzaldehyde, (r = 0·992; 0·993). Only one rotamer is predominant for thiophenaldehyde in all solvents. The intrinsic solvent effects of the three aldehydes are similar.read more
Citations
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Book ChapterDOI
3.10 – Furans and their Benzo Derivatives: (i) Structure
F.M. Dean,M.V. Sargent +1 more
Journal ArticleDOI
Ground state gas and solution phase conformational dynamics of polar processes: Furfural systems
TL;DR: In this article, the conductorlike continuum solvation model, modified for ab initio in the quantum chemistry program GAMESS, implemented at the Moller-Plesset Order 2 (MP2) level of theory has been applied to a group of push-pull pyrrole systems to illustrate the effects of donor/acceptor and solvation on the stability and energetics of such systems.
Journal ArticleDOI
Solvent Effects on Internal Rotational Barriers in Furfural. NMR Measurements and ab-Initio Molecular Orbital Methods Using Continuum Models
Alex D. Bain,Paul Hazendonk +1 more
TL;DR: In this article, the aldehyde group in furfural dissolved in toluene, acetone, and methanol was used as a test case for determining solvent effects on internal rotational barriers in small molecules.
Journal ArticleDOI
Nuclear magnetic resonance spectroscopy
TL;DR: In this paper, nuclear magnetic spectroscopy is presented in a manner that makes it suitable for presentation to undergraduates. But it is not suitable for the use of spectrograms in experiments.
Journal ArticleDOI
A dipole moment study of 2-benzoylpyrroles, di-(2-pyrryl)ketones and their sulphur analogues
TL;DR: In this paper, the electric dipole moments of 2-benzoylpyrrole and di-(2-pyrryl)-ketone, and their sulphur analogues, measured in cyclohexane and/or carbon tetrachloride, benzene and dioxane, were determined.
References
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Journal ArticleDOI
The Barrier to Internal Rotation in 2-Furanaldehyde
Journal ArticleDOI
Rotational isomerism—XIII : Rotational isomerism in furfuraldehyde
Raymond J. Abraham,T.M. Siverns +1 more
TL;DR: In this article, the equilibrium between the cis and trans isomers of furfuraldehyde has been studied by measuring the stereospecific coupling constants between the aldehyde and ring protons in various solvents.
Journal ArticleDOI
Stereospecificite des couplages lointains en serie heterocyclique
TL;DR: In this article, the stereospecificite des couplages entre les protons aldehydiques and the protons du cycle dans les formyl-2 bromo-4 thiophene and furanne is discussed.
Journal ArticleDOI
Description de l'effet Overhauser dans les systèmes en échange: application à l'analyse conformationnelle d'aldéhydes hétérocycliques
TL;DR: The equations of the nuclear Overhauser effect in exchanging systems predict relative increases for proton signals where the life times for exchange are of the same order of magnitude as t... as mentioned in this paper.
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Rotational isomerism—XIII : Rotational isomerism in furfuraldehyde
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