THE BARRIER TO INTERCONVERSION OF CYCLOHEXENE Academic Article uri icon

abstract

  • The interconversion process between twisted conformations of cyclohexene via a bent intermediate form is reexamined utilizing previously published far-infrared data along with molecular mechanics (MM3) calculations. This process is treated as a periodic one-dimensional hindered pseudorotation, and it is demonstrated that the anharmonicity in the vibrational data is compatible with a barrier to interconversion in the 8.4-12.1-kcal/mol range. This range is higher than the MM3 value of 7.22 kcal/mol or published values from ab initio calculations. 1994, American Chemical Society. All rights reserved.

published proceedings

  • JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

author list (cited authors)

  • LAANE, J., & CHOO, J.

citation count

  • 26

complete list of authors

  • LAANE, J||CHOO, J

publication date

  • May 1994