The energy of substituted ethanes. Asymmetry orbitals.
The leading terms in the energy of a general substituted ethane are derived in explicit form as a function of the torsional angle theta, the substituent electronegativities, and their mutual overlaps. The energy is found to be the sum of all four overlaps between pairs of asymmetry orbitals, and satisfies the requisite symmetry properties.
Salem
L
L
Laboratorium für Organische Chemie, ETH, Zürich.
Hoffmann
R
R
Otto
P
P