We report a simple
size focusing, two-step “bottom-up”
protocol to prepare water-soluble Au
25
(MBA)
18
nanoclusters, using the three isomers of mercaptobenzoic acids (
p
/
m
/
o
-MBA) as capping
ligands and Me
3
NBH
3
as a mild reducing agent.
The relative stability of the gas-phase multiply deprotonated Au
25
(MBA)
18
ions was investigated by collision-induced
dissociation. This permitted us to evaluate the possible isomeric
effect on the Au–S interfacial bond stress. We also investigated
their optical properties. The absorption spectra of Au
25
(MBA)
18
isomers were very similar and showed bands at
690, 470, and 430 nm. For all Au
25
(MBA)
18
isomeric
clusters, no measurable one-photon excited fluorescence under UV–vis
light was found, in neither solid- nor solution-state. The two-photon
excited emission spectra and first hyperpolarizabilities of the clusters
were also determined. The results are discussed in terms of the possible
isomeric effect on excitations within the metal core and the possibility
of charge transfer excitations from the ligands to the metal nanocluster.