부산대학교 도서관

The PE spectra of the nitrogen-rich title compounds cyanogen azide NC-N3, azodicarbonitrileNC - N = N - CN, azidoacetonitrile NC - H2C - N3, tetrazolo[1,5-a]pyridine (H4C5N)(N )3 andtrimethylenetetrazole (H2C)3(CN4) are presented and assigned by radical cation state comparisonwith related compounds or by Koopmans’ correlation with MNDO eigenvalues. In a low pressureflow system the compounds decompose at higher temperatures, with elimination of the thermodynamicallyfavorable N2 molecule. PE-spectroscopic real-time analysis reveals as further products:NC - N3 → C∞, NC - N = N - CN → NC - CN , NC - H2C - N3 → 2HCN (+ traces NC - HC = NH?)and (H2C)3(CN4) → H2C = N - CN + H2C = CH2. For tetrazolo[1,5-a]pyridine, a preceding ringopening to the corresponding 2-azidopyridine is observed.