論文がアクセプトされました(堀川先生)
XAS And RIXS Study of Acetic Acid and Methyl Formate in Liquid
O. Takahashi, N. Nishida, S.Kanai, Y. Horikawa, T. Tokushima
Phys.: Conf. Ser., 2016, 712, 012040
DOI : 10.1088/1742-6596/712/1/012040
Abstract: Structure of acetic acid (AA) and methyl formate (MF) in the liquid phase
is studied using X-ray absorption spectroscopy (XAS) and X-ray emission
spectroscopy (XES) experimentally and theoretically. Two distinct XES spectra
are observed by tuning photon energy for both molecules. Model structure
in the liquid phase is constructed using the classical and first principle
molecular dynamics simulations, and XES spectra are calculated using density
functional theory. Calculated XES spectra are consistent with experimental
ones. The effect of core-hole induced excited state molecular dynamics
are discussed.