For all the isomers of conjugated polyenes C
2nH
2n+2 (
n = 1∼6) total π-electron energy
Eπ, topological index
Z, mean length of conjugation
L were calculated, and their correlations were analyzed to get their genealogy. These
Eπ values can be estimated fairly well from
Z, moderately from
L, and roughly from the number of tertiary carbon atoms. The
Eπ change caused by the attachment of one C=C— unit to a given polyene can be classified into elongation, outer branching, inner branching, and horn growing, by the site of the attached C atom. The genealogy of conjugated acyclic polyenes can thus be understood and interpreted even by chemistry beginners. By extending this analysis one can obtain mathematical proof and its limitation of the "organic electron theory."
抄録全体を表示