Graph theory and molecular orbitals. XII. Acyclic polyenes

I Gutman, N Trinajstić… - Journal of chemical …, 1975 - ui.adsabs.harvard.edu
A graph-theoretical study of acyclic polyenes is carried out with an emphasis on the
influence of branching on several molecular properties. A definition of branching is given
and several branching indices are analyzed. The case of polyenes without a Kekulé
structure is discussed briefly. The main conclusions are:(a) thermodynamic stability of
conjugated polyenes decreases with branching, but (b) reactivity, in general, increases with
branching.
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