Dhayal, R.S.Lin, Y.-R.Liao, J.-H.Chen, Y.-J.Liu, Y.-C.Chiang, M.-H.Kahlal, S.Saillard, J.-Y.Liu, C.W.2018-07-142024-08-132018-07-142024-08-132016Dhayal, R. S., Lin, Y. R., Liao, J. H., Chen, Y. J., Liu, Y. C., Chiang, M. H., . . . Liu, C. W. (2016). [Ag<inf>20</inf>{S<inf>2</inf>P(OR)<inf>2</inf>}<inf>12</inf>]: A Superatom Complex with a Chiral Metallic Core and High Potential for Isomerism. Chemistry - A European Journal, 22(29), 9943-9947. doi: 10.1002/chem.201602275947653910.1002/chem.201602275https://kr.cup.edu.in/handle/32116/1208The synthesis and structural determination of a silver nanocluster [Ag20{S2P(OiPr)2}12] (2), which contains an intrinsic chiral metallic core, is produced by reduction of one silver ion from the eight-electron superatom complex [Ag21{S2P(OiPr)2}12](PF6) (1) by borohydrides. Single-crystal X-ray analysis displays an Ag20core of pseudo C3symmetry comprising a silver-centered Ag13icosahedron capped by seven silver atoms. Its n-propyl derivative, [Ag20{S2P(OnPr)2}12] (3), can also be prepared by the treatment of silver(I) salts and dithiophosphates in a stoichiometric ratio in the presence of excess amount of [BH4]?. Crystal structure analyses reveal that the capping silver-atom positions relative to their icosahedral core are distinctly different in 2 and 3 and generate isomeric, chiral Ag20cores. Both Ag20clusters display an emission maximum in the near IR region. DFT calculations are consistent with a description within the superatom model of an 8-electron [Ag13]5+core protected by a [Ag7{S2P(OR)2}12]5?external shell. Two additional structural variations are predicted by DFT, showing the potential for isomerism in such [Ag20{S2P(OR)2}12] species. ? 2016 WILEY-VCH Verlag GmbH & Co. KGaA, WeinheimenChiralityCrystal atomic structureCrystal structureCrystal symmetryIsomersMetal ionsNanoclustersSingle crystalsStereochemistryX ray analysisCrystal structure analysisIsomerismSilver nanoclustersSingle crystal X-ray analysisStoichiometric ratioStructural determinationStructural variationsSuperatomsSilverArticlehttps://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201602275