Inter action of Amine Co mpounds with Gold Nanoparticles; T heoretical and Experim ental Investigation

With their excellent compatibility with biomol ecules and distance-dependent optical absorb ance, collo idal Au n anoparticles have draw n intense scientific and technol ogical intere st. Au colloids bearing surface nega tive charge are seen to readily bind amine gro up. In this p aper we investigated theoreticall y and experimentally the interactions of amine comp ounds with g old nanopar ticle.Exper imental and Calculati on Section:Hydrogen tetra-ch loroaurate ( HAuCl۴, ۹۹%) and so dium citrate (۹۹%) were used to prepare citrate-capped Au nanopartic les following the method pioneer ed by J. T urkevich.A mines comp ound includ es Propan-۱ -amine ,Dod ecylamine, ۱,۲-dimethy lcyclohexan e, ۴,۷,۱۰-t rioxa-۱,۱۳ tridecanedia mine and L-Lysine whi ch will be refered as Pro , ddc , C yc , oxa and Lys, respectively have been used to conjugate with Au nanoparticles. Geometries of the functional amino acids com plexes with aniongol d cluster were fully o ptimized using the d ensity functional theory (DFT) with CAM-B۳L YP functional. The ۶-۳۱ +G** basis set was us ed for the at oms amine compounds, while for gold atom def ۲-TZVP basis set was a pplied.