Related Experiment Video
Updated: Apr 20, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Communication: Global minimum search of Ag₁₀⁺ with molecular beam optical spectroscopy
A Shayeghi1, R L Johnston2, R Schäfer1
1Eduard-Zintl-Institut, Technische Universität Darmstadt, Alarich-Weiss-Straße 8, 64287 Darmstadt, Germany.
Abstract:
The present study is focused on the optical properties of the Ag₁₀⁺ cluster in the photon energy range ℏω = 1.9-4.4 eV. Absorption spectra are recorded by longitudinal molecular beam depletion spectroscopy and compared to optical response calculations using time-dependent density functional theory. Several cluster isomers obtained by the new pool-based parallel implementation of the Birmingham Cluster Genetic Algorithm, coupled with density functional theory, are used in excited state calculations. The experimental observations, together with additional simulations of ion mobilities for the several geometries found within this work using different models, clearly identify the ground state isomer of Ag₁₀⁺ to be composed of two orthogonal interpenetrating pentagonal bipyramids, having overall D(2d) symmetry.
More Related Videos
Related Concept Videos
UV–Vis Spectroscopy: Molecular Electronic Transitions
Molecular Spectroscopy: Absorption and Emission
Atomic Absorption Spectroscopy: Instrumentation
The atomizer used in AAS can be either a flame atomizer or an...
Atomic Absorption Spectroscopy: Lab
Solutions containing organic solvents, such as low-molecular-mass alcohols, esters, or ketones, enhance absorbances by increasing...
Atomic Absorption Spectroscopy: Atomization Methods
Atomic Absorption Spectroscopy: Interference
Spectral interference occurs when signals from other elements or molecules overlap with the analyte signal, falsely elevating or masking the analyte's absorbance. This interference can be corrected using Zeeman,...

