M4Ag44(p-MBA)30 Molecular Nanoparticles

M4Ag44(p-MBA)30 molecular nanoparticles, where M is an alkali metal, have recently been shown to have exceptional stability, which confers unique traits to this molecule. In particular, the synthesis is straightforward, produces a truly single-sized molecular product, and has a quantitative yield. Here we describe in detail the results of experimental and theoretical studies on the synthesis, structure, stability, and electronic and optical properties of M4Ag44(p-MBA)30, including ESI-MS, NMR, optical absorption, IR, TGA, and other measurements as well as DFT and TDDFT calculations. This work deepens our understanding of this important Ag molecule, which should facilitate its use in a wide range of fundamental studies and applications.