title: Crystal Structure of the PdAu24(SR)18(0) Superatom.
abstract: The single-crystal X-ray structure of Pd-doped Au25(SR)18 was solved. The crystal structure reveals that in PdAu24(SR)18, the Pd atom is localized only to the centroid of the Au25(SR)18 cluster. This single-crystal X-ray structure shows that PdAu24(SR)18(0) is well conceptualized with the superatom theory. The PdAu24(SR)18(0) charge state is isoelectronic with Au25(SR)18(+1) as determined by a first order Jahn-Teller effect of similar magnitude and by electrochemical comparison. The previously reported increased stability of PdAu24(SR)18 can be rationalized in terms of Pd-Au bonds that are shorter than the Au-Au bonds in Au25(SR)18.
authors.affiliation: Department of Chemistry, Colorado State University , Fort Collins, Colorado 80523, United States.
authors.forename: Marcus A
authors.initials: MA
authors.lastname: Tofanelli
authors.affiliation: Department of Chemistry, Colorado State University , Fort Collins, Colorado 80523, United States.
authors.forename: Thomas W
authors.initials: TW
authors.lastname: Ni
authors.affiliation: Department of Chemistry, Colorado State University , Fort Collins, Colorado 80523, United States.
authors.forename: Billy D
authors.initials: BD
authors.lastname: Phillips
authors.affiliation: Department of Chemistry, Colorado State University , Fort Collins, Colorado 80523, United States.
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Ackerson
mesh_terms: D018360:Crystallography, X-Ray; D005026:Ethylene Glycols / Q000737:chemistry*; D006046:Gold / Q000737:chemistry*; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D010165:Palladium / Q000737:chemistry*
chemical_list: D005026:Ethylene Glycols; D009942:Organometallic Compounds; C031474:styrene glycol; D010165:Palladium; D006046:Gold