title: Total structure and optical properties of a phosphine/thiolate-protected Au24 nanocluster.
abstract: We report the synthesis and total structure determination of a Au(24) nanocluster protected by mixed ligands of phosphine and thiolate. Single crystal X-ray crystallography and electrospray ionization mass spectrometry (ESI-MS) unequivocally determined the cluster formula to be [Au(24)(PPh(3))(10)(SC(2)H(4)Ph)(5)X(2)](+), where X = Cl and/or Br. The structure consists of two incomplete (i.e., one vertex missing) icosahedral Au(12) units joined by five thiolate linkages. This structure shows interesting differences from the previously reported vertex-sharing biicosahedral [Au(25)(PPh(3))(10)(SC(2)H(4)Ph)(5)X(2)](2+) nanocluster protected by the same type and number of phosphine and thiolate ligands. The optical absorption spectrum of Au(24) nanocluster was theoretically reproduced and interpreted.
authors.affiliation: Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Anindita
authors.initials: A
authors.lastname: Das
authors.forename: Tao
authors.initials: T
authors.lastname: Li
authors.forename: Katsuyuki
authors.initials: K
authors.lastname: Nobusada
authors.forename: Qiong
authors.initials: Q
authors.lastname: Zeng
authors.forename: Nathaniel L
authors.initials: NL
authors.lastname: Rosi
authors.forename: Rongchao
authors.initials: R
authors.lastname: Jin