Critical Role of CF<sub>3</sub> Groups in the Electronic Stabilization of [PdAu<sub>24</sub>(C≡CC<sub>6</sub>H<sub>3</sub>(CF<sub>3</sub>)<sub>2</sub>)<sub>18</sub>]<sup>2–</sup> as Revealed by Gas-Phase Anion Photoelectron Spectroscopy
Shun Ito, Kiichirou Koyasu, Shinjiro Takano, Tatsuya Tsukuda
Abstract
. Density functional theory calculations reproduced the decrease of electron binding energies and rationally explained the ligand effect by a mechanism similar to the modulation of the work function of gold films by organic monolayers.
Topics & Concepts
ChemistryX-ray photoelectron spectroscopyCluster (spacecraft)Electron affinity (data page)Density functional theoryIonMonolayerMetalBinding energyLigand (biochemistry)CrystallographyElectronic structureGas phasePhase (matter)Work functionElectron spectroscopyComputational chemistryMoleculePhysical chemistryAtomic physicsReceptorOrganic chemistryNuclear magnetic resonanceProgramming languageBiochemistryPhysicsComputer scienceNanocluster Synthesis and ApplicationsOrganometallic Complex Synthesis and CatalysisAdvanced biosensing and bioanalysis techniques