Abstract

Ab initio SCF calculations for 2-chloroethyl azide (ClCH 2CH 2N 3), ethyl azidoacetate (N 3CH 2COOC 2H( 5) and 3-azido-2-butanone (CH 3CHN 3COCH 3) were performed in order that their UV photoelectron spectra could be reliably interpreted. Good agreement was found when comparing the ionisation energies given by the calculations with the bands of the photoelectron spectra of the above mentioned molecules.

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