The H-NCO bond energy and ΔH0f (NCO) from photoionization mass spectrometric studies of HNCO and NCO

Article abstract of DOI:10.1063/1.466281

A photoionization mass spectrometric study of HNCO yields the ionization potential (I.P.) (HNCO)=11.595+/-0.005 eV and the appearance potential (A.P.) (NCO⁺/HNCO)<*>16.53₂+/-0.01₁ eV at 0 K.A similar study of NCO (generated by F+HNCO) gives I.P. (NCO)=11.759+/-0.006 eV.These observations lead to D₀ (H-NCO)<*>110.1+/-0.3 kcal/mol.Additional analysis enables one to infer 28.4+/-0.5 kcal/mol<*>ΔH⁰_<*> (NCO)<*>32.8+/-0.7 kcal/mol.The implication of these results for kinetic modeling of the processes for reduction of NO_x is discussed.

Full text of DOI:10.1063/1.466281

The H–NCO bond energy and ΔH 0 f (NCO) from photoionization mass
spectrometric studies of HNCO and NCO
B. Ruscic and J. Berkowitz
Citation: The Journal of Chemical Physics 100, 4498 (1994); doi: 10.1063/1.466281
View online: http://dx.doi.org/10.1063/1.466281
View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/100/6?ver=pdfcov
Published by the AIP Publishing
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