Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations
Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations
Blog Article
Thiolate-protected Inline Water Pump metal nanoclusters have highly size- and structure-dependent physicochemical properties and are a promising class of nanomaterials.As a consequence, for the rationalization of their synthesis and for the design of new clusters with tailored properties, a precise characterization of their composition and structure at the atomic level is required.We report a combined ion mobility-mass spectrometry approach with density functional theory (DFT) calculations for determination of the structural and optical properties of ultra-small gold nanoclusters protected by thioglycolic acid (TGA) as ligand molecules, Au10(TGA)10.
Collision cross-section (CCS) measurements are reported for two charge states.DFT optimized geometrical structures are used to compute CCSs.The comparison of the experimentally- and theoretically-determined CCSs allows concluding Intermediate Kit that such nanoclusters have catenane structures.