Low-lying excited states of HO2–HONO, HO2–HONO2, and HO2–HO2NO2 complexes

作者: Yumin Li , Joseph S. Francisco

DOI: 10.1063/1.1328749

关键词: Hydrogen compoundsBinding energyMonomerExcited stateAtomic physicsExcitationChemistry

摘要: The vertical excitation energies are calculated for the three lowest excited states of HO2 and HO2–H2O, HO2–HONO, HO2–HONO2, HO2–HO2NO2 complexes. first state each complex is found to be similar HO2, but generally shifted from that monomer. There also a dependence shift on binding energy complex.

参考文章(37)
T. J. Johnson, F. G. Wienhold, J. P. Burrows, G. W. Harris, H. Burkhard, Measurements of line strengths in the hydroperoxy .nu.1 overtone band at 1.5 .mu.m using an indium gallium arsenide phosphide laser The Journal of Physical Chemistry. ,vol. 95, pp. 6499- 6502 ,(1991) , 10.1021/J100170A022
Mark S. Zahniser, Keith E. McCurdy, Alan C. Stanton, Quantitative spectroscopic studies of the hydroperoxo radical: band strength measurements for the .nu.1 and .nu.2 vibrational bands The Journal of Physical Chemistry. ,vol. 93, pp. 1065- 1070 ,(1989) , 10.1021/J100340A010
Carl C. Kircher, Stanley P. Sander, Kinetics and mechanism of HO2 and DO2 disproportionations The Journal of Physical Chemistry. ,vol. 88, pp. 2082- 2091 ,(1984) , 10.1021/J150654A029
James B. Burkholder, Philip D. Hammer, Carleton J. Howard, Jonathan P. Towle, John M. Brown, Fourier transform spectroscopy of the ν2 and ν3 bands of HO2 Journal of Molecular Spectroscopy. ,vol. 151, pp. 493- 512 ,(1992) , 10.1016/0022-2852(92)90582-9
H. E. Hunziker, H. R. Wendt, Near infrared absorption spectrum of HO2 Journal of Chemical Physics. ,vol. 60, pp. 4622- 4623 ,(1974) , 10.1063/1.1680949
K. H. Becker, E. H. Fink, P. Langen, U. Schurath, Near infrared emission bands of the HO2 radical Journal of Chemical Physics. ,vol. 60, pp. 4623- 4625 ,(1974) , 10.1063/1.1680950
D.J. Giachardi, G.W. Harris, R.P. Wayne, Excited state formation in the H + O2 system Chemical Physics Letters. ,vol. 32, pp. 586- 588 ,(1975) , 10.1016/0009-2614(75)85246-8
Stanley P. Sander, Mari Peterson, Robert T. Watson, Roger Patrick, Kinetics studies of the hydrogen dioxide + hydrogen dioxide and deuterium dioxide + deuterium dioxide reactions at 298 K The Journal of Physical Chemistry. ,vol. 86, pp. 1236- 1240 ,(1982) , 10.1021/J100397A002
Mark S. Zahniser, Alan C. Stanton, A measurement of the vibrational band strength for the ν3 band of the HO2 radical The Journal of Chemical Physics. ,vol. 80, pp. 4951- 4960 ,(1984) , 10.1063/1.446517
G. Moortgat, B. Veyret, R. Lesclaux, Absorption spectrum and kinetics of reactions of the acetylperoxy radical The Journal of Physical Chemistry. ,vol. 93, pp. 2362- 2368 ,(1989) , 10.1021/J100343A032