Photoelectron, infrared, and theoretical study of the thermolysis of 4-azahepta-1,6-diyne: spectra of prop-2-ynylideneamine, H–CC–CHNH, and penta-3,4-diene-1-yne, CH2CCHCCH

Abstract

The conditions for and products of thermolysis of 4-azahepta-1,6-diyne, (HCC–CH₂)₂NH, have been investigated by microwave, photoelectron, i.r., and mass spectrometric techniques. Prop-2-ynylideneamine, HCC–CHNH, is produced in good yield as well as penta-3,4-diene-1-yne, CH₂CCH–CCH, from (HCC–CH₂)₂NH. Ionisation potential and vibrational data for HCC–CHNH, CH₂CCH–CCH, and the precursors have been obtained. The ionisation energies have been assigned with the aid of theoretical calculations. Photoelectron data on 3-aminopropyne, HCCCH₂NH₂, have also been obtained.