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|Title:||He(I) and He(II) photoelectron spectra of simple nitroalkanes|
|Authors:||Mok, C.Y. |
|Source:||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|
|Appears in Collections:||Staff Publications|
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