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Nuclear magnetic resonance studies. XV. Conformational free energy of the formyl group

 

作者: G. W. Buchanan,   J. B. Stothers,   Siu-Tzyy Wu,  

 

期刊: Canadian Journal of Chemistry  (NRC Available online 1967)
卷期: Volume 45, issue 23  

页码: 2955-2961

 

ISSN:0008-4042

 

年代: 1967

 

DOI:10.1139/v67-477

 

出版商: NRC Research Press

 

数据来源: NRC

 

摘要:

Proton spectroscopy has been employed to determine the conformational free energy (− ΔG0) of a formyl group bonded to a cyclohexane ring. Thecis- andtrans-4-t-butylderivatives were used as models for the axial and equatorial formyl groups in cyclohexanecarboxaldehyde and 1-methylcyclohexanecarboxaldehyde. The wiggle-beat technique was used to determine the spectral line positions and separations because of the relatively small differences involved. The − ΔG0values were found to be relatively insensitive to solvent polarity and concentration over the range 10–50 mole %. For 10 mole % solutions the average value of − ΔG0CHOwas found to be 1.38 kcal/mole.

 

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