title: Core excitation, specific dissociation, and the effect of the size of aromatic molecules connected to oxygen: phenyl ether and 1,3-diphenoxybenzene.
abstract: Near-edge X-ray absorption fine structure (NEXAFS) spectra of phenyl ether at the carbon K-edge and 1,3-diphenoxybenzene at both the carbon and oxygen K-edges were measured in the total ion yield mode using X-rays from a synchrotron and a reflectron time-of-flight mass spectrometer. Time-dependent density functional theory was adopted to calculate the carbon and oxygen K-edge NEXAFS spectra of phenol, phenyl ether, and 1,3-diphenoxybenzene. The assignments and a comparison of the experimental and calculated spectra are presented. The mass spectra of ionic products formed after X-ray absorption at various excitation energies are also reported. Specific dissociations were observed for the 1s → π* transition of phenyl ether. In comparison with phenol and phenyl ether, the dependence of the fragmentation on the excitation site and destination state was weak in 1,3-diphenoxybenzene, likely as a result of delocalization of the valence electrons and rapid randomization of energy.
authors.affiliation: Scientific Research Division, National Synchrotron Radiation Research Center , Hsinchu 30076, Taiwan.
authors.forename: Yi-Shiue
authors.initials: YS
authors.lastname: Lin
authors.forename: Shu-Yu
authors.initials: SY
authors.lastname: Lin
authors.forename: Yuan T
authors.initials: YT
authors.lastname: Lee
authors.forename: Chien-Ming
authors.initials: CM
authors.lastname: Tseng
authors.forename: Chi-Kung
authors.initials: CK
authors.lastname: Ni
authors.forename: Chen-Lin
authors.initials: CL
authors.lastname: Liu
authors.forename: Cheng-Cheng
authors.initials: CC
authors.lastname: Tsai
authors.forename: Jien-Lian
authors.initials: JL
authors.lastname: Chen
authors.forename: Wei-Ping
authors.initials: WP
authors.lastname: Hu