Direct determination of the ionization energy of histidine with VUV synchrotron radiation
作者： Kevin R. Wilson , Leonid Belau , Christophe Nicolas , Michael Jimenez-Cruz , Stephen R. Leone
DOI: 10.1016/J.IJMS.2005.12.044
关键词: Ionization 、 Ionization energy 、 Chemistry 、 Molar ionization energies of the elements 、 Atmospheric-pressure laser ionization 、 Bond-dissociation energy 、 Fragmentation (mass spectrometry) 、 Ion 、 Photoionization 、 Atomic physics
摘要: Abstract Intact molecules of histidine are generated in the gas phase using impaction nanoparticles on a heater. The direct determination ionization energy (IE) (155 m / z ) is performed single photon with tunable vacuum ultraviolet (VUV) synchrotron radiation and reported to be 8.2(±0.1) eV. Ab initio calculations at B3LYP/6-311G (UB3LYP/6-311G) level theory generating vertical adiabatic energies possible fragmentation mechanisms. theoretical derived for two lying conformers agree very well experimental result. Thermal dissociation heater gives rise fragments, which subsequently photoionized 82 111, while 110 formed by dissociative photoionization cation. Appearance fragment ions 82, 111 8.5(±0.1), 8.5(±0.1) 8.4(±0.1) eV, respectively, temperature 373 K. H-atom protonated 4.8(±0.1) eV thermodynamic arguments.
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