Absence of Triplets in Single-Photon Double Ionization of Methanol
Krishnendu Gope, Ester Livshits, Dror M. Bittner, Roi Baer, Daniel Strasser
Abstract
yields on the low-lying states. In contrast, if we assume that the initial dication is formed in one of the low-lying triplet states, the ab initio simulations exhibit a metastable dication, contradicting the experimental findings. Comparing the average simulated branching ratios with the experimental data suggests a >3 order of magnitude enhancement of the singlet:triplet ratio compared with their respective 1:3 multiplicities.
Topics & Concepts
IonizationMethanolPhotonAtomic physicsChemistryPhysicsMaterials scienceOpticsIonQuantum mechanicsOrganic chemistrySpectroscopy and Quantum Chemical StudiesLaser-Matter Interactions and ApplicationsPhotochemistry and Electron Transfer Studies