TY - JOUR
T1 - A study of the thermal decomposition of 2-azidoacetamide by ultraviolet photoelectron spectroscopy and matrix-isolation infrared spectroscopy
T2 - Identification of the imine intermediate H2NCOCHNH
AU - Dyke, John M.
AU - Levita, Giacomo
AU - Morris, Alan W.
AU - Ogden, Julius Steven
AU - Dias, António Alberto
AU - González, Manuel Algarra
AU - Santos, José Paulo Moreira dos
AU - Costa, Maria de Lourdes Santos Lourenço
AU - Rodrigues, Paula R. S.
AU - Barros, Maria Teresa
PY - 2004/6/24
Y1 - 2004/6/24
N2 - The thermal decomposition of 2-azidoacetamide (N3CH2CONH2) has been studied by matrix-isolation infrared spectroscopy and real-time ultraviolet pbotoelectron spectroscopy. N-2, CH2NH, HNCO, CO, NH3, and HCN are observed as high-temperature decomposition products, while at lower temperatures, the novel imine intermediate H2NCOCH=NH is observed in the matrix-isolation IR experiments. The identity of this intermediate is confirmed both by ab initio molecular orbital calculations of its IR spectrum and by the temperature dependence and distribution of products in the photoelectron spectroscopy (PES) and IR studies. Mechanisms are proposed for the formation and decomposition of the intermediate consistent both with the observed results and with estimated activation energies based on pathway calculations.
AB - The thermal decomposition of 2-azidoacetamide (N3CH2CONH2) has been studied by matrix-isolation infrared spectroscopy and real-time ultraviolet pbotoelectron spectroscopy. N-2, CH2NH, HNCO, CO, NH3, and HCN are observed as high-temperature decomposition products, while at lower temperatures, the novel imine intermediate H2NCOCH=NH is observed in the matrix-isolation IR experiments. The identity of this intermediate is confirmed both by ab initio molecular orbital calculations of its IR spectrum and by the temperature dependence and distribution of products in the photoelectron spectroscopy (PES) and IR studies. Mechanisms are proposed for the formation and decomposition of the intermediate consistent both with the observed results and with estimated activation energies based on pathway calculations.
KW - Semiconductor materials
KW - Synthesis (chemical)
KW - Activation energy
KW - Evaporators
KW - Infrared spectroscopy
KW - Mass spectrometry
KW - Nitrogen compounds
KW - Photoelectron spectroscopy
KW - Pyrolysis
KW - Solid propellants
UR - http://www.scopus.com/inward/record.url?scp=3142688295&partnerID=8YFLogxK
U2 - 10.1021/jp031288s
DO - 10.1021/jp031288s
M3 - Article
VL - 108
SP - 5299
EP - 5307
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 25
ER -