THE H-NCO BOND-ENERGY AND DELTA-H-F(0) (NCO) FROM PHOTOIONIZATION MASS-SPECTROMETRIC STUDIES OF HNCO AND NCO

Authors
RUSCIC B BERKOWITZ J
Citation
B. Ruscic et J. Berkowitz, THE H-NCO BOND-ENERGY AND DELTA-H-F(0) (NCO) FROM PHOTOIONIZATION MASS-SPECTROMETRIC STUDIES OF HNCO AND NCO, The Journal of chemical physics, 100(6), 1994, pp. 4498-4508
Citations number
37
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
100
Issue
6
Year of publication
1994
Pages
4498 - 4508
Database
ISI
SICI code
0021-9606(1994)100:6<4498:THBAD(>2.0.ZU;2-O
Abstract
A photoionization mass spectrometric study of HNCO yields the ionizati on potential (I.P.) (HNCO)=11.595+/-0.005 eV and the appearance potent ial (A.P.) (NCO+/HNCO)less than or equal to 16.53(2)+/-0.01(1) eV at 0 K. A similar study of NCO (generated by F+HNCO) gives I.P. (NCO)=11.7 59+/-0.006 eV. These observations lead to D-0 (H-NCO)less than or equa l to 110.1+/-0.3 kcal/mol. Additional analysis enables one to infer 28 .4+/-0.5 kcal/mol less than or equal to Delta H-f0(0) (NCO)less than o r equal to 32.8+/-0.7 kcal/mol. The implication of these results for k inetic modeling of the processes for reduction of NOx is discussed.