C(NH2)3(I3O8)(HI3O8)(H2I2O6)(HIO3)4·3H2O: An Unprecedented Asymmetric Guanidinium Polyiodate with a Strong Second-Harmonic-Generation Response and a Wide Band Gap

Dong Yan; Meng-Meng Ren; Fei-Fei Mao; Yu Ma; Ru-Ling Tang; Bingbing Zhang; Yao Ma; Xiu-Du Zhang; Shu-Fang Li

doi:10.1021/acs.inorgchem.3c00002

C(NH₂)₃(I₃O₈)(HI₃O₈)(H₂I₂O₆)(HIO₃)₄·3H₂O: An Unprecedented Asymmetric Guanidinium Polyiodate with a Strong Second-Harmonic-Generation Response and a Wide Band Gap

Inorg Chem. 2023 Jan 30;62(4):1323-1327. doi: 10.1021/acs.inorgchem.3c00002. Epub 2023 Jan 19.

Authors

Dong Yan^{1

2}, Meng-Meng Ren¹, Fei-Fei Mao^{2

3}, Yu Ma², Ru-Ling Tang⁴, Bingbing Zhang⁵, Yao Ma¹, Xiu-Du Zhang¹, Shu-Fang Li^{1

2}

Affiliations

¹ Key Laboratory of Functional Molecular Solids, Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241002, P. R. China.
² State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China.
³ College of Science, Nanjing Agricultural University, Nanjing 210095, P. R. China.
⁴ School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, P. R. China.
⁵ College of Chemistry and Environmental Science, Hebei University, Baoding 071002, China.

PMID: 36657021
DOI: 10.1021/acs.inorgchem.3c00002

Abstract

Herein, we report an unprecedented asymmetric guanidinium polyiodate, namely, C(NH₂)₃(I₃O₈)(HI₃O₈)(H₂I₂O₆)(HIO₃)₄·3H₂O (1). The title compound was obtained via the hybridization of polyiodate anions and planar π-conjugated C(NH₂)₃⁺; meanwhile, its strong second-harmonic-generation (SHG) response (2.1 × KDP, where KDP = KH₂PO₄) and wide band gap (3.89 eV) were mainly dominated by the synergy effect of the aforementioned structural units.