The photoionization and dissociation of 2-methyl-2-propen-1-ol(MPO)have been investigated by using molecular beam experimental apparatus with tunable vacuum ultraviolet synchrotron radiation in the photon energy regio...The photoionization and dissociation of 2-methyl-2-propen-1-ol(MPO)have been investigated by using molecular beam experimental apparatus with tunable vacuum ultraviolet synchrotron radiation in the photon energy region of 8.0-15.5 eV.The photoionization efficiency(PIE)curves for molecule ion and fragment ions:C4H8O^+,C4H7O^+,C3H5O^+,C4H7^+,C4H6^+,C4H5^+,C2H4O^+,C2H3O+,C3H6^+,C3H5^+,C3H3^+,CH3O^+,CHO^+have been measured,and the ionization energy(IE)and the appearance energies(AEs)of the fragment ions have been obtained.The stable species and the first order saddle points have been calculated on the CCSD(T)/cc-pvTZ//B3LYP/6-31+G(d,p)level.With combination of theoretical and experimental results,the dissociative photoionization pathways of 2-methyl-2-propen-1-ol are proposed.Hydrogen migrations within the molecule are the dominant processes in most of the fragmentation pathways of MPO.展开更多
The authors synthesized very pure dimer phase of coroneae by simple heat-treatment and subsequent sublimation purification. It was confirmed by laser desorption/ionization mass spectroscopy measurements that pure dime...The authors synthesized very pure dimer phase of coroneae by simple heat-treatment and subsequent sublimation purification. It was confirmed by laser desorption/ionization mass spectroscopy measurements that pure dimer phase of coronenes can be obtained by controlling the fusing and sublimation temperatures. The crystal structure of the dimer phase was analyzed by synchrotron XRD （X-ray diffraction） experiments. It was also found that very bright red light is emitted by irradiating ultra violet light （λ = 350 nm） to the dimer phase. The external and internal quantum yields were determined to be 5.56% and 6.95%, respectively.展开更多
基金supported by the National Natural Science Foundation of China(No.91544105,No.U1532137,No.275127,No.U1232130,No.U1232209,and No.U11575178)the Supercomputing Center of USTC is also acknowledged
文摘The photoionization and dissociation of 2-methyl-2-propen-1-ol(MPO)have been investigated by using molecular beam experimental apparatus with tunable vacuum ultraviolet synchrotron radiation in the photon energy region of 8.0-15.5 eV.The photoionization efficiency(PIE)curves for molecule ion and fragment ions:C4H8O^+,C4H7O^+,C3H5O^+,C4H7^+,C4H6^+,C4H5^+,C2H4O^+,C2H3O+,C3H6^+,C3H5^+,C3H3^+,CH3O^+,CHO^+have been measured,and the ionization energy(IE)and the appearance energies(AEs)of the fragment ions have been obtained.The stable species and the first order saddle points have been calculated on the CCSD(T)/cc-pvTZ//B3LYP/6-31+G(d,p)level.With combination of theoretical and experimental results,the dissociative photoionization pathways of 2-methyl-2-propen-1-ol are proposed.Hydrogen migrations within the molecule are the dominant processes in most of the fragmentation pathways of MPO.
文摘The authors synthesized very pure dimer phase of coroneae by simple heat-treatment and subsequent sublimation purification. It was confirmed by laser desorption/ionization mass spectroscopy measurements that pure dimer phase of coronenes can be obtained by controlling the fusing and sublimation temperatures. The crystal structure of the dimer phase was analyzed by synchrotron XRD （X-ray diffraction） experiments. It was also found that very bright red light is emitted by irradiating ultra violet light （λ = 350 nm） to the dimer phase. The external and internal quantum yields were determined to be 5.56% and 6.95%, respectively.
