STUDY OF NI-MO-GAMMA-AL2O3 CATALYSTS BY X-RAY PHOTOELECTRON AND RAMAN-SPECTROSCOPY - COMPARISON WITH CO-MO-GAMMA-AL2O3 CATALYSTS
STUDY OF NI-MO-GAMMA-AL2O3 CATALYSTS BY X-RAY PHOTOELECTRON AND RAMAN-SPECTROSCOPY - COMPARISON WITH CO-MO-GAMMA-AL2O3 CATALYSTS
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DOI：
10.1021/j150616a010
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发表时间：
1981-01-01
影响因子：
--
通讯作者：
BONNELLE, JP
中科院分区：
文献类型：
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作者：
DUFRESNE, P;PAYEN, E;BONNELLE, JP
N (CH3) 3、Abco 和 Dabco 的低能电子吸收带涉及向 3s 和 3p Rydberg 态的跃迁。 3p能级的核心分裂很小~0.1 eV。至少在基态平衡几何结构中，没有发现显着的里德伯价态混合。然而，(3s, n) 和 (3pz, n) 里德伯构型的混合在从 NH3 到胺的过程中变得很重要。在 Dabco 中，两个等效氮上的里德伯轨道的通过键和通过空间相互作用导致对称和反对称态分裂约 0.5 eV，对称组合态处于较低能量。 Dabco 的最低能量荧光状态被指定为 WdSsW。 nt-t-)]，而第一个强（单光子）吸收被指定为到 1E/-[3px> y (+), n (+) j 态的跃迁。定位了其他预测但尚未光谱解析的跃迁，并讨论了它们的光谱特性。
The low-energy electronic absorption bands of N (CH3) 3, Abco, and Dabco involvetransitions to 3s and 3p Rydberg states. The core splitting of the 3p level is small~ 0.1 eV. No significant Rydberg-valence state mixing is found, at least at the ground-state equilibrium geometry. The mixing of the (3s, n) and (3pz, n) Rydberg configurations, however, becomes significant on going from NH3, to the amines.In Dabco the through-bond and through-space interactions of Rydberg orbitals on the two equivalent nitrogens result in symmetric and antisymmetric states split by~ 0.5 eV with the symmetric combination state lying at lower energy. The lowest energy fluorescing state of Dabco is assigned as WdSsW. nt-t-)], while the first strong (one-photon) absorption is assigned as a transition tothe 1E/-[3px> y (+), n (+) j state. Other predicted but not yet spec-troscopically resolved transitions are located and their spectral properties are discussed.