C(NH<sub>2</sub>)<sub>3</sub>(I<sub>3</sub>O<sub>8</sub>)(HI<sub>3</sub>O<sub>8</sub>)(H<sub>2</sub>I<sub>2</sub>O<sub>6</sub>)(HIO<sub>3</sub>)<sub>4</sub>·3H<sub>2</sub>O: An Unprecedented Asymmetric Guanidinium Polyiodate with a Strong Second-Harmonic-Generation Response and a Wide Band Gap
Dong Yan, Mengmeng Ren, Fei‐Fei Mao, Yu Ma, Ru‐Ling Tang, Bingbing Zhang, Yao Ma, Xiu‐Du Zhang, Shu‐Fang Li
Abstract
Herein, we report an unprecedented asymmetric guanidinium polyiodate, namely, C(NH 2 ) 3 (I 3 O 8 )(HI 3 O 8 )(H 2 I 2 O 6 )(HIO 3 ) 4 ·3H 2 O ( 1 ). The title compound was obtained via the hybridization of polyiodate anions and planar π-conjugated C(NH 2 ) 3 +; meanwhile, its strong second-harmonic-generation (SHG) response (2.1 × KDP, where KDP = KH 2 PO 4 ) and wide band gap (3.89 eV) were mainly dominated by the synergy effect of the aforementioned structural units.
Topics & Concepts
ChemistryCrystallographyBand gapPlanarX-ray crystallographyDiffractionCondensed matter physicsPhysicsOpticsComputer graphics (images)Computer scienceCrystal Structures and PropertiesNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography