In this letter, the development of an electron momentum spectrometer, which is the first in China, has been described shortly, and using this spectrometer, the experimental results on the electron momentum spectroscop...In this letter, the development of an electron momentum spectrometer, which is the first in China, has been described shortly, and using this spectrometer, the experimental results on the electron momentum spectroscopy of helium were reported.展开更多
The outer-valence binding energy spectra of ethanol in the energy range of 9-21 eV are mea- sured by a high-resolution electron momentum spectrometer at an impact energy of 2.5 keV plus the binding energy. The electro...The outer-valence binding energy spectra of ethanol in the energy range of 9-21 eV are mea- sured by a high-resolution electron momentum spectrometer at an impact energy of 2.5 keV plus the binding energy. The electron momentum distributions for the ionization peaks cor- responding to the outer-valence orbitals are obtained by deconvoluting a series of azimuthal angular correlated binding energy spectra. Comparison is made with the theoretical calcu- lations for two conformers, trans and gauche, coexisting in the gas phase of ethanol at the level of B3LYP density functional theory with aug-cc-pVTZ basis sets. It is found that the measured electron momentum distributions for the peaks at 14.5 and 15.2 eV are in good agreement with the theoretical electron momentum distributions for the molecular orbitals of individual conformers （i.e., 8a＇ of trans and 9a of gauche）, but not in accordance with the thermally averaged ones. It demonstrates that the high-resolution electron momentum spectrometer, by inspecting the molecular electronic structure, is a promising technique to identify different conformers in a mixed sample.展开更多
We report the experimental and theoretical investigation of the complete valence shell binding energy spectra and momentum profiles of naphthalene (C 10 H 8),using our high resolution electron momentum spectrometer,at...We report the experimental and theoretical investigation of the complete valence shell binding energy spectra and momentum profiles of naphthalene (C 10 H 8),using our high resolution electron momentum spectrometer,at impact energies of 1500 eV and 600 eV.The observed momentum profiles were compared with the Hartree-Fock (HF) and density functional theory (DFT) calculations,and the binding energy spectrum was compared with the Outer valence Green's function (OVGF) calculations.The impact energy dependent discrepancy between observed momentum distributions and calculations under the plane wave impulse approximation was ascribed to the distorted wave effects.展开更多
文摘In this letter, the development of an electron momentum spectrometer, which is the first in China, has been described shortly, and using this spectrometer, the experimental results on the electron momentum spectroscopy of helium were reported.
文摘The outer-valence binding energy spectra of ethanol in the energy range of 9-21 eV are mea- sured by a high-resolution electron momentum spectrometer at an impact energy of 2.5 keV plus the binding energy. The electron momentum distributions for the ionization peaks cor- responding to the outer-valence orbitals are obtained by deconvoluting a series of azimuthal angular correlated binding energy spectra. Comparison is made with the theoretical calcu- lations for two conformers, trans and gauche, coexisting in the gas phase of ethanol at the level of B3LYP density functional theory with aug-cc-pVTZ basis sets. It is found that the measured electron momentum distributions for the peaks at 14.5 and 15.2 eV are in good agreement with the theoretical electron momentum distributions for the molecular orbitals of individual conformers （i.e., 8a＇ of trans and 9a of gauche）, but not in accordance with the thermally averaged ones. It demonstrates that the high-resolution electron momentum spectrometer, by inspecting the molecular electronic structure, is a promising technique to identify different conformers in a mixed sample.
基金supported by the National Natural Science Foundation of China (Grants Nos. 11074144,10874097 and 10704046)Specialized Research Fund for the Doctoral Program of Higher Education (Grant No. 20070003146)
文摘We report the experimental and theoretical investigation of the complete valence shell binding energy spectra and momentum profiles of naphthalene (C 10 H 8),using our high resolution electron momentum spectrometer,at impact energies of 1500 eV and 600 eV.The observed momentum profiles were compared with the Hartree-Fock (HF) and density functional theory (DFT) calculations,and the binding energy spectrum was compared with the Outer valence Green's function (OVGF) calculations.The impact energy dependent discrepancy between observed momentum distributions and calculations under the plane wave impulse approximation was ascribed to the distorted wave effects.
