Graph theory and molecular orbitals. XII. Acyclic polyenes
İvan GutmanInstitute ''Rugjer Bo?ković,'' P.O.B. 1016, 41001 Zagreb, Croatia, YugoslaviaB. Ru ićInstitute ''Rugjer Bo?ković,'' P.O.B. 1016, 41001 Zagreb, Croatia, YugoslaviaNenad TrinajstićInstitute ''Rugjer Bo?ković,'' P.O.B. 1016, 41001 Zagreb, Croatia, YugoslaviaCharles F. WilcoxInstitute ''Rugjer Bo?ković,'' P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
1975en
ABI
Аннотация
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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