The time-dependent quantum wave packet method is used to study the dynamics of the pho- todissociation processes for the isotopomers 14N14N16O, 14N15N16O, 15N14N16O, 15N15N16O, 14N14N17O, and 14N14N18O. In general, th...The time-dependent quantum wave packet method is used to study the dynamics of the pho- todissociation processes for the isotopomers 14N14N16O, 14N15N16O, 15N14N16O, 15N15N16O, 14N14N17O, and 14N14N18O. In general, the computed isotopic fractionation factors derived from the absorption cross sections of five heavy isotopomers are in good agreement with the experimental results. Relative to the 14NI4N16O isotopomer, the N2 rotational state distributions for the isotopically nitrogen substituted N2O are found to be entirely shifted to higher rotational states. Similar to its isotopic fractionation factors, the N2 rotational state distributions for the asymmetric isotopomers 14N15N16O and 15N14N16O are found to be observably different.展开更多
We report a time-dependent quantum wavepacket theory employed to interpret the photoabsorption spectrum of the N20 molecule in terms of the nuclear motion on the upper 21A＇ and 11A＂ potential energy surfaces. The N2...We report a time-dependent quantum wavepacket theory employed to interpret the photoabsorption spectrum of the N20 molecule in terms of the nuclear motion on the upper 21A＇ and 11A＂ potential energy surfaces. The N2-O bond breaks upon excitation leading to dissociation. The total angular momentum is treated correctly taking into account the vector property of the electric field of the exciting radiation.展开更多
文摘The time-dependent quantum wave packet method is used to study the dynamics of the pho- todissociation processes for the isotopomers 14N14N16O, 14N15N16O, 15N14N16O, 15N15N16O, 14N14N17O, and 14N14N18O. In general, the computed isotopic fractionation factors derived from the absorption cross sections of five heavy isotopomers are in good agreement with the experimental results. Relative to the 14NI4N16O isotopomer, the N2 rotational state distributions for the isotopically nitrogen substituted N2O are found to be entirely shifted to higher rotational states. Similar to its isotopic fractionation factors, the N2 rotational state distributions for the asymmetric isotopomers 14N15N16O and 15N14N16O are found to be observably different.
文摘We report a time-dependent quantum wavepacket theory employed to interpret the photoabsorption spectrum of the N20 molecule in terms of the nuclear motion on the upper 21A＇ and 11A＂ potential energy surfaces. The N2-O bond breaks upon excitation leading to dissociation. The total angular momentum is treated correctly taking into account the vector property of the electric field of the exciting radiation.
