Microwave spectroscopy and structures of two conformers of 6-methyl-3-heptyne and three of 2-methylpentane

Fournier, Joseph A.; Bohn, Robert K.; Michels, H. H.

doi:10.1016/j.jms.2008.02.007

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Factors Influencing Rotational Isomerism1

Substituents At Propargylic Positions1

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“…The conformations of other substituted 2-butynes were studied by experimental and theoretical methods. Microwave spectroscopy revealed that 6-methyl-3-heptyne existed as a mixture of two conformers, where the two terminal substituents, Me and i -Pr groups, were eclipsed along the linear axis . The rotational barrier of the methyl group in 2-butyn-1-ol was determined by microwave analysis to be 83 J/mol, although the stable conformation about the acetylene axis was not specified .…”

Section: Factors Influencing Rotational Isomerismmentioning

confidence: 96%

“…Microwave spectroscopy revealed that 6-methyl-3-heptyne existed as a mixture of two conformers, where the two terminal substituents, Me and i-Pr groups, were eclipsed along the linear axis. 86 The rotational barrier of the methyl group in 2-butyn-1-ol was determined by microwave analysis to be 83 J/mol, although the stable conformation about the acetylene axis was not specified. 87 The rotational barrier of 1,1,1-trifluoro-2-butyne was too low to measure by microwave spectroscopy, being consistent with the result of early MO calculations (16 J/mol).…”

Section: Substituents At Propargylic Positionsmentioning

confidence: 99%

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