ISSN:
1434-6079
Keywords:
31.25.Qm
;
33.15.Ry
;
33.60.Cv
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The vibrational structure of the first band of the photoelectron (PE) spectrum of HO 2 − and DO 2 − has been calculated on the basis of (slightly modified) ab initio potentials. The best agreement with the experimental spectrum of HO 2 − is obtained for a vibrational temperature of ca. 600 K. “Peak D”, which has been under debate in earlier work, is composed of two transitions, with the “hot” transition 3 1 1 being more intense than the adiabatic transition. Since thev 2 bending mode of DO2 has significant OO stretching character, the vibrational structure of the PE spectrum of DO 2 − is more complex than that of HO 2 − . Large-scale RCCSD(T) calculations of the equilibrium electron affinity of HO2 yield 1.058 eV which agrees with the experimental value of 1.044 ± 0.020 eV.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01426415
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