The vicinal coupling constant, J(12), between the vinyl CH and the ring CH protons in vinylcyclohexane was calculated from a ‘partial molecule’ six‐spin system. The 100 and 270 MHz results are in good agreement; those at 60 MHz were, however, still inaccurate in this approximation. J(12) increases with increasing solvent polarity and decreasing temperature. The energy difference between the s‐trans and gauche conformers in both C2Cl4 and perdeuterioacetone solvents is 879 ± 167 J mol−1 (210±40 cal mole−1). The s‐trans conformer is the most stable, in contrast to the isoelectronic cyclohexylcarboxyaldehyde where the gauche rotamers are lower in energy. Copyright © 1980 Heyden & Son Ltd.SCOPUS: ed.jinfo:eu-repo/semantics/publishe
Conformational equilibrium in medium-sized rings has been investigated by the temperature variation ...
The geometry of cyclopropanecarboxaldehyde has been optimized completely at each critical point in t...
Chemical shifts and coupling constants have been determined from the analysis of proton nuclear magn...
Author Institution: National Research CouncilThe spacing of the doublet in the proton resonance spec...
The doublet separation in the proton resonance spectrum of the liquid was measured from 1253 to 100...
The first part of the thesis shows how nuclear magnetic resonance can he used to determine the energ...
The geometry of vinylcyclopropane has been completely optimized at each critical point by analytic g...
A previous model for the calculation of proton chemical shifts in substituted alkanes based upon par...
One bond coupling constants were measured as a function of temperature for bonds between...
Author Institution: Cyanamid European Research InstituteIt has been shown by Karplus and by Conroy t...
Zero-point vibrational level averaging for electron spin resonance (ESR) and muon spin resonance (µS...
Rates of ring inversion and conformational equilibria of gem-fluorocyclohexanes carrying various sub...
The conformational equilibrium has been measured for r-1,c-3-dichloro-t-5-methylcyclohexane(2) in si...
The EPR spectra of axial cyclohexylmethyl radicals show temperature-dependent line-broadening effect...
At 140 K the EPR spectra of cyclohexylmethyl and (4-alkylcyclohexyl)methyl radicals in which the CH2...
Conformational equilibrium in medium-sized rings has been investigated by the temperature variation ...
The geometry of cyclopropanecarboxaldehyde has been optimized completely at each critical point in t...
Chemical shifts and coupling constants have been determined from the analysis of proton nuclear magn...
Author Institution: National Research CouncilThe spacing of the doublet in the proton resonance spec...
The doublet separation in the proton resonance spectrum of the liquid was measured from 1253 to 100...
The first part of the thesis shows how nuclear magnetic resonance can he used to determine the energ...
The geometry of vinylcyclopropane has been completely optimized at each critical point by analytic g...
A previous model for the calculation of proton chemical shifts in substituted alkanes based upon par...
One bond coupling constants were measured as a function of temperature for bonds between...
Author Institution: Cyanamid European Research InstituteIt has been shown by Karplus and by Conroy t...
Zero-point vibrational level averaging for electron spin resonance (ESR) and muon spin resonance (µS...
Rates of ring inversion and conformational equilibria of gem-fluorocyclohexanes carrying various sub...
The conformational equilibrium has been measured for r-1,c-3-dichloro-t-5-methylcyclohexane(2) in si...
The EPR spectra of axial cyclohexylmethyl radicals show temperature-dependent line-broadening effect...
At 140 K the EPR spectra of cyclohexylmethyl and (4-alkylcyclohexyl)methyl radicals in which the CH2...
Conformational equilibrium in medium-sized rings has been investigated by the temperature variation ...
The geometry of cyclopropanecarboxaldehyde has been optimized completely at each critical point in t...
Chemical shifts and coupling constants have been determined from the analysis of proton nuclear magn...