ELECTRONIC AND MOLECULAR STRUCTURAL INVESTIGATIONS

1.观察到的反式和顺式己三烯的价态转变已经被证明是可逆的。 指定为传统的Bmu（B1）N-大于V1和传统的 Ag+（A1+）“顺式”价态跃迁。 2.本文研究了反式己三烯的低里德堡跃迁。 详细 3 p（Ag），3 p（Bg），3d（Amu）和3d素数（4s）跃迁已经被证实。 观察 3 p（Ag）-跃迁已被证明是振动诱导的 通过a-μ振动，基频等于90 cm-1， 基态电子态 3.在每一个中观察到的两个价跃迁的强度 环戊二烯、环己二烯和环庚二烯具有 在每个分子中都是相关的。 这种关系是 用激子相互作用理论可以满意地描述。 从 这第二个允许的化合价跃迁被推断为 “传统”A1+状态。

1. The observed valence transitions of trans- and cis-hexatrienes have been assigned as the traditional Bmu (B1) N-greater than V1 and the traditional Ag+(A1+) "cis" valence transitions. 2. The lower Rydberg transitions of trans-hexatriene have been studied in detail. 3p(Ag), 3p(Bg), 3d(Amu), and 3d prime (4s) transitions have been observed. The 3p(Ag)-transition has been shown to be vibronically induced by an a-mu vibration with a fundamental frequency of equal 90 cm-1 in the ground electronic state. 3. The intensities of the two valence transitions observed in each of the cyclic dienes cyclopentadiene, cyclohexadiene, and cycloheptadiene, have been shown to be reciprocally related in each molecule. This relation was shown to be satisfactorily described by exciton interaction theory. From this the second allowed valence transition was deduced to be to the "traditional" A1+ state.