Vacuum ultraviolet photoelectron spectroscopic study of the NH2O and HNO molecules

Abstract

UV photoelectron spectra have been recorded for the F + NH20H reaction at different reaction times. At short reaction times three bands associated with NH,O were observed, whereas at longer reaction times one band associated with NHO was seen.The NH20 bands were assigned with the aid of ab initio molecular orbital calculations which used an essentially planar equilibrium geometry for the neutral ground state. The HNO band showed resolved vibrational structure which was analysed in terms of excitation of the N-0 stretching and HNO deformation modes in HNO+(g 2A'). The first adiabatic and vertical ionization energies of HNO(g 'A') were measured as 10.18 & 0.01 and 10.56 0.01 eV, respectively. Assignment of the vibrational structure was confirmed by recording the first photoelectron band of DNO, prepared from the F + ND20D reaction.

Difluorocarbene Studied with Threshold Photoelectron Spectroscopy (TPES): Measurement of the First Adiabatic Ionization Energy (AIE) of CF2

“…This work indicates that studies with TPE spectroscopy, supported by ab initio/Franck-Condon calculations, of other tri-and tetra-atomic reactive intermediates, in which vibrational structure in more than one vibrational mode in the first and higher PE bands is expected, is possible and this is planned for future work. Possible reactive intermediates that could be studied in this way include HO 2 , [43] HNO, [44] HCO, [45] CH 2 Cl and CHCl 2 . [46] In each case, the results should lead to a more reliable determination of the AIE, assignment of the observed vibrational structure and hence determination of vibrational frequencies in the ionic state.…”

Molecular Isomer Identification of Titan’s Tholins Organic Aerosols by Photoelectron/Photoion Coincidence Spectroscopy Coupled to VUV Synchrotron Radiation

“…A more complex example of the isomers identification in this work is illustrated in Figure 5 for the ion at m/z 31. Although we could readily identify the methylamine (CH 5 N) and probably nitrosyl hydride (HNO) through comparison with the experimental PES by Bieri et al 43 and Baker et al 45 , the region above 10.8 eV is unexplained. Other candidate such CH 3 O radical [46][47] was also excluded by their cation's electronic footprint, and the fact that radicals are not expected in tholins.…”

Heavy atom nitroxyl radicals. II: Spectroscopic detection of H2As=O, the prototypical arsenyl free radical

“…H 2 NO was produced in the gas phase in 1984 by the reaction of fluorine atoms with NH 2 OH and identified by far infrared laser magnetic resonance. 11 Subsequent work using the same reaction yielded the photoelectron 12 and microwave spectra. 13 The latter study showed that H 2 NO has an essentially planar structure of C 2v symmetry and microwave spectroscopy 14 confirms that H 2 NS is also a planar molecule.…”