Conformational free energy difference (–ΔG° value) of the methyl group in methylcyclohexane: an accurate determination by the direct, low-temperature nuclear magnetic resonance method

1976 ◽  
pp. 278-279 ◽  
Author(s):  
Harold Booth ◽  
Jeremy R. Everett
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Free Energy ◽  
Accurate Determination ◽  
Resonance Method ◽  
Energy Difference ◽  
Nuclear Magnetic Resonance Method ◽  
Free Energy Difference ◽  
Methyl Group ◽  
Magnetic Resonance Method ◽  
Conformational Free Energy

Conformational analysis of 1,4-disubstituted cyclohexanes. III. trans-1,4-Di(trifluoroacetoxy)cyclohexane

1969 ◽  
Vol 47 (3) ◽  
pp. 429-431 ◽  
Author(s):  
Gordon Wood ◽  
E. P. Woo ◽  
M. H. Miskow
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Free Energy ◽  
Magnetic Resonance ◽  
Low Temperature ◽  
Conformational Analysis ◽  
Integration Method ◽  
Standard Free Energy ◽  
Energy Difference ◽  
Free Energy Difference ◽  
Conformational Free Energy

By the low temperature nuclear magnetic resonance integration method the standard free energy difference between the diequatorial and the diaxial forms of 1-H,4-H-trans-1,4-di(trifluoroacetoxy)-cyclohexane-d8 was found to be 77 ± 5 cal/mole. The conformational free energy (−ΔG0) of the trifluoroacetoxy group in the monosubstituted cyclohexane was 485 ± 4 cal/mole at the same temperature. The non-additivity of the −ΔG0 values is discussed in terms of transannular electrostatic interaction.

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