Excited States of Metal-Adsorbed Dimethyl Disulfide: A TDDFT Study with Cluster Model.

ABSTRACT: The optical near field refers to a localized light field near a surface that can induce photochemical phenomena such as dipole-forbidden transitions. Recently, the photodissociation of the S-S bond of dimethyl disulfide (DMDS) was investigated using a scanning tunneling microscope with far- and near-field light. This reaction is thought to be initiated by the lowest-energy highest occupied molecular orbital (HOMO) to lowest unoccupied molecular orbital (LUMO) transition of the DMDS molecule under far-field light. In near-field light, photodissociation proceeds at lower photon energies than in far-field light. To gain insight into the underlying mechanism, we theoretically investigated the excited states of DMDS adsorbed on Cu and Ag surfaces modeled by a tetrahedral 20-atom cluster. The fr

SUBMITTER: Toda K 

PROVIDER: S-EPMC9272398 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature