Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/94492
Title: Penning ionization electron spectra of nitro compounds
Authors: Chin, W.S. 
Mok, C.Y. 
Huang, H.H. 
Masuda, S.
Kato, S.
Harada, Y.
Issue Date: 28-Oct-1992
Source: Chin, W.S.,Mok, C.Y.,Huang, H.H.,Masuda, S.,Kato, S.,Harada, Y. (1992-10-28). Penning ionization electron spectra of nitro compounds. Journal of Electron Spectroscopy and Related Phenomena 60 (2) : 101-116. ScholarBank@NUS Repository.
Abstract: He*(23S) Penning ionization electron spectra (PIES) of some nitroalkanes, nitropropenes and nitrobenzene have been recorded and compared with their respective He(I) photoelectron spectra (UPS). The spatial electron density distributions of the out-of-plane π orbitals of the nitro group are more extended than the in-plane n0 orbitals, resulting in relatively strong π bands in the PIES. Similarly, the πCC bands of nitropropenes and the πring bands of nitrobenzene are enhanced in the PIES owing to the more extended nature of these orbitals. This has enabled the unequivocal assignment of the first three ionic states of nitromethane. The assignment is also supported by multi-deference determinant configuration interaction (MRD-CI) calculations. Variations of the intensity enhancement among these compounds are discussed in terms of local steric shielding effects. © 1992.
Source Title: Journal of Electron Spectroscopy and Related Phenomena
URI: http://scholarbank.nus.edu.sg/handle/10635/94492
ISSN: 03682048
Appears in Collections:Staff Publications

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