HeI photoelectron spectroscopic studies on the electronic structure of alkyl nitrosamines

HeI photoelectron spectroscopic (PES) studies on the electronic structure of alkyl nitrosamines R2N2O (R = CH3−, CH3CH2−, and CH3CH2CH2−) are reported. The assignment of the PES bands for this series of compounds has been made with the aid of the band shapes, the band intensity and ab initio SCF MO calculations based on the 631∗ G basis sets. Both PES experiment and the ab initio SCF MO calculations show that the detoxification ability of nitrosamine with longer alkyl chain is stronger.