Charge transfer excitation energies in pyridine–silver complexes studied by a QM/MM method

How relevant can the SERS effect in isolated nanoparticles be?

“…The electronic effects due the formation of chemical bonds with the nanoparticles surface should increase the polarizability of the adsorbed species. [39][40][41][42] On the other hand the surface selection rules, [43][44][45] favor the cases where the transition dipole moment of molecular electronic transition is oriented or have a component normal to the nanoparticle surface. In our case, the orientation of the Ru(dp) / tmtH 2 (pp*) transition dipole moment is sensitive to the coordination mode of the tmt bridging ligand.…”

Plasmonic staining of DNA molecules with photo-induced Ag nanoparticles monitored using dark-field microscopy

“…Indeed, CT transition energy is usually much lower than absorption energy. 19 From these considerations, we can expect that appropriate reducers photo-thermally or photo-chemically assist in the formation of Ag NPs from Ag + ions and then result in DNA metallization under white light illumination. We consider that Tris and HEPES act as appropriate reducers.…”

Structural and spectroscopic study of adsorption of anthracene on silver

“…6.55 0.31 0.057 π * C 11-C 13 7.95 0.31 0.065 π C 8-C 9 π * C 3-C 4 10.20 0.24 0.064 π * C 7-C 10 14.37 0.25 0.075 π * C 14-C 15 11.66 0.28 0.077 π C 11-C 13 π * C 7-C 10 12.19 0.26 0.075 π * C 14-C 15 8.48 0.29 0.064 π C 14-C 15 π * C 8-C 9 8.45 0.29 0.064 π * C 11-C 13 9.94 0.29 0.069 cluster Ag 3 has a good correlation with the experimental absorption spectrum of anthracene adsorbed on silver.…”

“…An efficient interpretation of the effects of any surface-adsorbed molecule is vital to understand the properties of metal clusters observed experimentally [10,11]. Molecular vibrational spectra are of much interest to the experimental and theoretical communities as significant information can be elicited on the structural and symmetry changes on adsorption, the orientation of the adsorbate on the surface and the interactions with the surfaces involved.…”