Revisiting ultrasmall phosphine-stabilized rhodium-doped gold clusters AunRh (n = 5, 6, 7, 8): geometric, electronic, and vibrational properties

Abstract

The Rh-doped gold clusters are fragments of a Rh-centred icosahedron. Calculated orbital energies are consistent with the observed colour of each cluster. Vibrational motions of core metal atoms are much smaller than for the pure gold counterparts.