The photoelectron imagings of LaO-, CeO-, PRO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron affinities to be determined as 0.99（1） eV for LaO, 1.00（1） eV for CeO, 1...The photoelectron imagings of LaO-, CeO-, PRO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron affinities to be determined as 0.99（1） eV for LaO, 1.00（1） eV for CeO, 1.00（1） eV for PrO, and 1.01（1） eV for NdO, respectively. Density functional calculations and natural atomic orbital analyses show that the 4f electrons tend to be localized and suffer little from the charge states of the molecules. The photodetached electron mainly originates from the 6s orbital of the metals. The ligand field theory with the δ=2 assumption is still an effective method to analyze the ground states of the neutral and anionic lanthanide monoxides.展开更多
The AgOCH3- and Ag-（CH3OH）x（x=l, 2） anions are studied by photoelectron imaging as well as ab initio calculations. The adiabatic and vertical detachment energies （ADE and VDE） of AgOCH3- are determined as 1.29（...The AgOCH3- and Ag-（CH3OH）x（x=l, 2） anions are studied by photoelectron imaging as well as ab initio calculations. The adiabatic and vertical detachment energies （ADE and VDE） of AgOCH3- are determined as 1.29（2） and 1.34（2） eV, respectively, from the vibrational resolved photoelectron spectrum. The Ag-（CH3OH）l,2 anionic complexes are characterized as metal atomic anion solvated by the CH3OH molecules with the electron mainly localized on the metal. The photoelectron spectra of Ag-（CH3OH）x （x=O, 1, 2） show a gradual increase in VDE with increasing x, due to the solvent stabilization. Evidence for the methanol-methanol hydrogen bonding interactions appears when the Ag- is solvated by two methanol molecules.展开更多
基金This work was supported by the National Natural Science Foundation of China （No.20933003） and the National Basic Research Program of China （No.2010CB732306）.
文摘The photoelectron imagings of LaO-, CeO-, PRO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron affinities to be determined as 0.99（1） eV for LaO, 1.00（1） eV for CeO, 1.00（1） eV for PrO, and 1.01（1） eV for NdO, respectively. Density functional calculations and natural atomic orbital analyses show that the 4f electrons tend to be localized and suffer little from the charge states of the molecules. The photodetached electron mainly originates from the 6s orbital of the metals. The ligand field theory with the δ=2 assumption is still an effective method to analyze the ground states of the neutral and anionic lanthanide monoxides.
基金This work was supported by the National Natural Science Foundation of China （No.20933003 and No.21073186） and the National Basic Research Program of China （No.2007CBSI5203, No.2010CB732306, and No.2007CBSI5201）.
文摘The AgOCH3- and Ag-（CH3OH）x（x=l, 2） anions are studied by photoelectron imaging as well as ab initio calculations. The adiabatic and vertical detachment energies （ADE and VDE） of AgOCH3- are determined as 1.29（2） and 1.34（2） eV, respectively, from the vibrational resolved photoelectron spectrum. The Ag-（CH3OH）l,2 anionic complexes are characterized as metal atomic anion solvated by the CH3OH molecules with the electron mainly localized on the metal. The photoelectron spectra of Ag-（CH3OH）x （x=O, 1, 2） show a gradual increase in VDE with increasing x, due to the solvent stabilization. Evidence for the methanol-methanol hydrogen bonding interactions appears when the Ag- is solvated by two methanol molecules.
