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Presence or Absence of a Central Se Atom in Silver Selenide/Selenolate Clusters with Halite Topology: Syntheses and Properties of [(Ph3PAg)8Ag66-Se)1−x/2(SePh)12]x+ (x = 0, 1)

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posted on 04.01.2010, 00:00 by Hari Pada Nayek, Werner Massa, Stefanie Dehnen
Two types of Ph3P/Ph ligated Ag14Se13−x (x = 0, 0.5) clusters with halite topology were synthesized that differ by the occupation/nonoccupation of the central position by a 13th Se atom and the resulting charge: neutral [(Ph3PAg)8Ag66-Se)(SePh)12]·11THF (1) and ionic [(Ph3PAg)8Ag66-Se)0.5(SePh)12][R3SnCl2nTHF (R = Ph, n = 6 (2a); Cy, n = 5 (2b)) are all based on a tetradecanuclear cluster. The structural response on the charge was rationalized by DFT calculations, and the optical absorption behavior was studied.