title: Gold Quantum Boxes: On the Periodicities and the Quantum Confinement in the Au₂₈, Au₃₆, Au₄₄ , and Au₅₂ Magic Series.
abstract: Revealing the size-dependent periodicities (including formula, growth pattern, and property evolution) is an important task in metal nanocluster research. However, investigation on this major issue has been complicated, as the size change is often accompanied by a structural change. Herein, with the successful determination of the Au44(TBBT)28 structure, where TBBT = 4-tert-butylbenzenethiolate, the missing size in the family of Au28(TBBT)20, Au36(TBBT)24, and Au52(TBBT)32 nanoclusters is filled, and a neat "magic series" with a unified formula of Au8n+4(TBBT)4n+8 (n = 3-6) is identified. Such a periodicity in magic numbers is a reflection of the uniform anisotropic growth patterns in this magic series, and the n value is correlated with the number of (001) layers in the face-centered cubic lattice. The size-dependent quantum confinement nature of this magic series is further understood by empirical scaling law, classical "particle in a box" model, and the density functional theory calculations.
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Chenjie
authors.initials: C
authors.lastname: Zeng
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Yuxiang
authors.initials: Y
authors.lastname: Chen
authors.affiliation: Department of Theoretical and Computational Molecular Science, Institute for Molecular Science , Myodaiji, Okazaki 444-8585, Japan.|Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University , Katsura, Kyoto 615-8520, Japan.
authors.forename: Kenji
authors.initials: K
authors.lastname: Iida
authors.affiliation: Department of Theoretical and Computational Molecular Science, Institute for Molecular Science , Myodaiji, Okazaki 444-8585, Japan.|Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University , Katsura, Kyoto 615-8520, Japan.
authors.forename: Katsuyuki
authors.initials: K
authors.lastname: Nobusada
authors.affiliation: Department of Chemistry and Biochemistry, University of Toledo , Toledo, Ohio 43606, United States.
authors.forename: Kristin
authors.initials: K
authors.lastname: Kirschbaum
authors.affiliation: Department of Chemistry and Biochemistry, University of Toledo , Toledo, Ohio 43606, United States.
authors.forename: Kelly J
authors.initials: KJ
authors.lastname: Lambright
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Rongchao
authors.initials: R
authors.lastname: Jin