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量子化学计算表明 ,丙二烯分子的两个相互垂直的 π轨道有一定程度的延伸 ,π电子有一定程度的离域。 C— C间布居的电荷比乙烯分子中的多 ,其键能亦比乙烯分子中的大。
Quantum chemistry calculations show that the two π-orbitals of the allene molecules extend to some extent and the π-electrons have a certain degree of delocalization. C-C between the living population of ethylene molecules than the more, its bond energy than ethylene molecules in large.