Time-dependent view of an isotope effect in electron-nuclear nonequilibrium dynamics with applications to N₂.

ABSTRACT: Isotopic fractionation in the photodissociation of N₂ could explain the considerable variation in the ¹⁴N/¹⁵N ratio in different regions of our galaxy. We previously proposed that such an isotope effect is due to coupling of photoexcited bound valence and Rydberg electronic states in the frequency range where there is strong state mixing. We here identify features of the role of the mass in the dynamics through a time-dependent quantum-mechanical simulation. The photoexcitation of N₂ is by an ultrashort pulse so that the process has a sharply defined origin in time and so that we can monitor the isolated molecule dynamics in time. An ultrafast pulse is necessarily broad in frequency and spans several excited electronic states. Each excited molecu

SUBMITTER: Ajay JS 

PROVIDER: S-EPMC6003327 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature