Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/93915
Title: He(I) and He(II) photoelectron spectra of simple nitroalkanes
Authors: Mok, C.Y. 
Chin, W.S. 
Huang, H.H. 
Issue Date: Oct-1991
Citation: Mok, C.Y.,Chin, W.S.,Huang, H.H. (1991-10). He(I) and He(II) photoelectron spectra of simple nitroalkanes. Journal of Electron Spectroscopy and Related Phenomena 57 (2) : 213-222. ScholarBank@NUS Repository.
Abstract: He(II) photoelectron spectra of nitromethane, nitroethane, 1- and 2-nitropropane have been recorded and compared with the corresponding He(I) spectra. The relative He(I)/He(II) spectral band intensities provide clear evidence for ascribing the first two maxima in the range 10-12 eV to ionization processes involving the removal of electrons from the orbitals n0 +, n0 - and π2. Similarly the band at ≈ 17 eV is attributed to ejection of electrons from the π1 and σNO - orbitals. Detailed assignment of spectral bands is made on the basis of bandshape and intensity, as well as ab initio SCF MO calculations using the 6-31G basis set. In the He(II) spectra, two bands in the region 18-22 eV are assigned to σNO + and an orbital with 2sN and 2sO character. © 1991.
Source Title: Journal of Electron Spectroscopy and Related Phenomena
URI: http://scholarbank.nus.edu.sg/handle/10635/93915
ISSN: 03682048
Appears in Collections:Staff Publications

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