title: Inorganic supramolecular compounds with 3-D chiral frameworks show potential as both mid-IR second-order nonlinear optical and piezoelectric materials.
abstract: Two inorganic supramolecular compounds, (Hg(6)P(3))(In(2)Cl(9)) (1) and (Hg(8)As(4))(Bi(3)Cl(13)) (2), which have chiral 3-D host frameworks with guest moieties filling the helical tunnels, have been synthesized. They both have large second-harmonic generation efficiencies, and compound 2 also exhibits obvious single-crystal piezoelectric performance. Theoretical studies from first-principles calculations were performed on their nonlinear optical (NLO) and piezoelectric properties, and results indicate that good NLO and piezoelectric materials can be obtained by designing both complicated polycations and polyanions with large molecular polarizability as functional components rather than traditional single polyanions.
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, PR China.
authors.forename: Xiao-Ming
authors.initials: XM
authors.lastname: Jiang
authors.forename: Ming-Jian
authors.initials: MJ
authors.lastname: Zhang
authors.forename: Hui-Yi
authors.initials: HY
authors.lastname: Zeng
authors.forename: Guo-Cong
authors.initials: GC
authors.lastname: Guo
authors.forename: Jin-Shun
authors.initials: JS
authors.lastname: Huang