The even-parity autoionizing resonance series 3p^5np′[3/2]1,2, 3p^5np′[1/2] 1, and 3p^5nf′[5/2]3 of Ar have been investigated exciting from the two metastable states 3p^54s[3/2]2 and 3p^54s′[1/2]0 in the photon en...The even-parity autoionizing resonance series 3p^5np′[3/2]1,2, 3p^5np′[1/2] 1, and 3p^5nf′[5/2]3 of Ar have been investigated exciting from the two metastable states 3p^54s[3/2]2 and 3p^54s′[1/2]0 in the photon energy range of 32500-35600 cm^-1 with an experimental band- width of ～0.1 cm^-1. The excitation spectra of the even-parity autoionizing resonance series show typical asymmetric line shapes. New level energies, quantum defects, line profile index and resonance widths, resonance lifetime and reduced widths of the autoionizing resonances are derived by a Fano-type line-shape analysis. The line profile index q and the resonance widths F are shown to be approximately proportional to the effective principal quantum number n^＊. The line separation of the 3p^5np′ autoionizing resonances is discussed.展开更多
Does the halogen bonding interaction co-exist in liquid when it competes with the hydrogen bonding interaction？ The classical molecular dynamics simulations for the solvation properties of CLF molecule in water are p...Does the halogen bonding interaction co-exist in liquid when it competes with the hydrogen bonding interaction？ The classical molecular dynamics simulations for the solvation properties of CLF molecule in water are performed with the Lennard-Jones plus Coulomb electrostatic potential parameters that are optimized with ab initio interaction energy calculations for the pre-reactive H2O-CLF complex. We find that the halogen bonding interactions occur between O and CL atoms and have the comparable strength and population with respect to the hydrogen bonding interactions of C1...H.展开更多
文摘The even-parity autoionizing resonance series 3p^5np′[3/2]1,2, 3p^5np′[1/2] 1, and 3p^5nf′[5/2]3 of Ar have been investigated exciting from the two metastable states 3p^54s[3/2]2 and 3p^54s′[1/2]0 in the photon energy range of 32500-35600 cm^-1 with an experimental band- width of ～0.1 cm^-1. The excitation spectra of the even-parity autoionizing resonance series show typical asymmetric line shapes. New level energies, quantum defects, line profile index and resonance widths, resonance lifetime and reduced widths of the autoionizing resonances are derived by a Fano-type line-shape analysis. The line profile index q and the resonance widths F are shown to be approximately proportional to the effective principal quantum number n^＊. The line separation of the 3p^5np′ autoionizing resonances is discussed.
基金This work is supported by the National Natural Science Foundation of China （No.20673105）.
文摘Does the halogen bonding interaction co-exist in liquid when it competes with the hydrogen bonding interaction？ The classical molecular dynamics simulations for the solvation properties of CLF molecule in water are performed with the Lennard-Jones plus Coulomb electrostatic potential parameters that are optimized with ab initio interaction energy calculations for the pre-reactive H2O-CLF complex. We find that the halogen bonding interactions occur between O and CL atoms and have the comparable strength and population with respect to the hydrogen bonding interactions of C1...H.
