Ionisation of cyano derivatives: a Penning ionisation electron spectroscopy and theoretical self-consistent field/configuration interaction study
- 28 May 1986
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 19 (10) , 1497-1505
- https://doi.org/10.1088/0022-3700/19/10/018
Abstract
Penning ionisation electron spectroscopy (PIES) experiments are reported for acetonitrile (CH3CN), acrylonitrile (CH2CHCN) and polyacrylonitrile films. Self-consistent field/configuration interaction calculations on CH3CN and CH2CHCN using spatially selected localised orbitals show that the major feature of the PIES spectra is ionisation of the nitrogen lone pair, whose potential appears essentially constant in the series of CN-substituted molecules.Keywords
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