The H--NCO bond energy and {Delta}{ital H}{sup 0}{sub {ital f}} (NCO) from photoionization mass spectrometric studies of HNCO and NCO

Journal Article · Mon Mar 14 23:00:00 EST 1994 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.466281· OSTI ID:142587

Ruscic, B; Berkowitz, J ^[1]

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1. Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

A photoionization mass spectrometric study of HNCO yields the ionization potential (I.P.) (HNCO)=11.595{plus_minus}0.005 eV and the appearance potential (A.P.) (NCO{sup +}/HNCO){le}16.53{sub 2}{plus_minus}0.01{sub 1} eV at 0 K. A similar study of NCO (generated by F+HNCO) gives I.P. (NCO)=11.759{plus_minus}0.006 eV. These observations lead to {ital D}{sub 0} (H--NCO){le}110.1{plus_minus}0.3 kcal/mol. Additional analysis enables one to infer 28.4{plus_minus}0.5 kcal/mol {le} {Delta}{ital H}{sub {ital f}{sub 0}}{sup 0} (NCO){le}32.8{plus_minus}0.7 kcal/mol. The implication of these results for kinetic modeling of the processes for reduction of NO{sub {ital x}} is discussed.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 142587
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 6 Vol. 100; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
BINDING ENERGY
HYDROGEN
ISOCYANIC ACID
MASS SPECTRA
PHOTOIONIZATION
TEMPERATURE ZERO K
YIELDS