Unimolecular Double Photoionization-Induced Processes in Iron Pentacarbonyl.

ABSTRACT: The dissociations of nascent Fe(CO)₅⁺⁺ ions created by 40.81 eV photoionization of iron pentacarbonyl have been examined using threefold and fourfold electron-ion coincidence measurements. The energies and forms of the ions have been explored by high-level calculations, revealing several new structures. The most stable form of Fe(CO)₅⁺⁺ has a quite different geometry from that of the neutral molecule. The dissociation pattern can be modeled as a sequence of CO evaporations followed by two-body charge separations. Each Fe(CO)_n⁺⁺ (n = 1-4) dication is stable in a restricted energy range; as its internal energy increases, it first ejects a neutral CO, then loses CO⁺ by charge separation at higher energy

SUBMITTER: Linguerri R 

PROVIDER: S-EPMC8653154 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature