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Citation: Wang Dian-Xun, Wang Dong, Zhao Heng-Qi, Tang Qing, Xu Guang-Zhi. An Example of Lone Pair Orbital and Their Interaction——Gas Phase Ultravlolet Photoelctron Spectroscople Study of some Nitrogen Heterocyclle Compounds[J]. Acta Physico-Chimica Sinica, ;1992, 8(06): 809-813. doi: 10.3866/PKU.WHXB19920618 shu

An Example of Lone Pair Orbital and Their Interaction——Gas Phase Ultravlolet Photoelctron Spectroscople Study of some Nitrogen Heterocyclle Compounds

1.
Institute of Chemistry, Academia Sinica, Beijing 100080

Received Date: 8 July 1991
Available Online: 15 December 1992

Ione pair orbital and their interaction in some nitrogen heterocyclic compound series have been interpreted in terms of through-space and through-bond mechanisms through the study of their gas phase ultraviolet photoelectron spectrocopy. The HAM/3 molecular orbital calculations on each molecule of the studied series were also carried out. The order of experimental vertical ionization potentials of the molecules can be not only predicated, but the spacing of through-space and through-bond interactions splitting of the studied compounds are consistent with the results of HAM/3 calculations.
- Ultraviolet photoelectron; Spectroscopy; Heterocycles; Orbital interaction
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