1 research outputs found
Au<sub>10</sub>(SG)<sub>10</sub>: A Chiral Gold Catenane Nanocluster with Zero Confined Electrons. Optical Properties and First-Principles Theoretical Analysis
We
report facile synthesis of the Au<sub>10</sub>(SG)<sub>10</sub> nanoclusters,
where SG stands for glutathione, found to be promising
as a new class of radiosensitizers for cancer radiotherapy. The homoleptic
catenane structure with two Au<sub>5</sub>SG<sub>5</sub> interconnected
rings, among different isomer structures, gives the best agreement
between theoretical and experimental optical spectra and XRD patterns.
This catenane structure exhibits a centrosymmetry-broken structure,
resulting in enhanced second harmonic response and new characteristic
circular dichroism signals in the spectral region of 250–400
nm. This is the first determination of the nonlinear optical properties
of a ligated cluster with an equal Au-to-ligand ratio, thus without
a metallic core and therefore zero confined electrons. Insight into
the nonlinear and chiroptical efficiencies arising from interplay
between structural and electronic properties is provided by the TD-DFT
approach