Ultrafine lead sulfide clusters are produced by the reaction of long-chain thiols with lead ions in non-aqueous medium, and according to X-ray diffraction (XRD) data reveal the different steps of he bulk-like rocksalt lattice growth. XRD pattern is simulated by the Debye formula for four model clusters (27, 75, 125, 729 atoms) and the correspondence of model and experimental clusters is shown that allows to estimate their size. Ab initio MOLCAO calculations result in energetical parameters and charge distribution for the clusters with 27 atoms. The value of energy gap indicates the true tendency of variation for the clusters of different size but left yet higher than maxima in the optical absorption at the fixed steps. [References: 10]
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