The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effe...The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effect.It is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region.The present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.展开更多
Dissociative photoionization of 1,2-epoxyoctane was investigated by synchrotron radiation vacuum ultraviolet photons in the energy region of 9.8-16.6 eV under ultrasonic molec-ular beam. Dissociative fragment ions wer...Dissociative photoionization of 1,2-epoxyoctane was investigated by synchrotron radiation vacuum ultraviolet photons in the energy region of 9.8-16.6 eV under ultrasonic molec-ular beam. Dissociative fragment ions were measured with reffection time-of-ight mass spectrometer at di erent photon energies. Appearance potentials of the dominative ion fragments were determined through photoionization efficiency curves. The structures and energies of the parent, ionized and neutral radicals were obtained with G3 calculations. Through comparing the experimental results with the theoretical calculations, we proposed the dissociative channels for the photoionization of 1,2-epoxyoctane.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12334010,12174259,and 11604003)。
文摘The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effect.It is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region.The present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.
文摘Dissociative photoionization of 1,2-epoxyoctane was investigated by synchrotron radiation vacuum ultraviolet photons in the energy region of 9.8-16.6 eV under ultrasonic molec-ular beam. Dissociative fragment ions were measured with reffection time-of-ight mass spectrometer at di erent photon energies. Appearance potentials of the dominative ion fragments were determined through photoionization efficiency curves. The structures and energies of the parent, ionized and neutral radicals were obtained with G3 calculations. Through comparing the experimental results with the theoretical calculations, we proposed the dissociative channels for the photoionization of 1,2-epoxyoctane.
