Barrier to asymmetric internal rotation, conformational stability, vibrational spectra and assignments, and Ab Initio calculations of n‐butane‐d0, d5 and d10

@inproceedings{Herrebout1991BarrierTA,
  title={Barrier to asymmetric internal rotation, conformational stability, vibrational spectra and assignments, and Ab Initio calculations of n‐butane‐d0, d5 and d10},
  author={Wouter A. Herrebout and Aiying Wang and Wafaa B. Beshir and Thomas S. Little},
  year={1991}
}
The asymmetric torsional potential function of n-butane has been redefined based on a combination of results obtained from experimental and theoretical calculations. From the vibrational spectra of gaseous n-butane below 500 cm−1 the asymmetric torsional fundamentals of the more stable s-trans and high-energy gauche conformations of n-butane have been assigned at 121.28 and 116.60 cm−1, respectively, each with excited states falling to lower frequencies. Additionally, from variable-temperature… CONTINUE READING

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