Two <scp>l</scp>-Proline Cadmium Thiocyanates with Moderate Second-Harmonic-Generation Responses and Large Birefringences
Two organic-inorganic cadmium thiocyanates, namely, Cd(SCN)(l-C<sub>5</sub>H<sub>8</sub>NO<sub>2</sub>) (<b>1</b>) and Cd(SCN)<sub>2</sub>(l-C<sub>5</sub>H<sub>9</sub>NO<sub>2</sub>) (<b>2</b>), have been synthesized using l-proline as the bridging ligand. The two compounds have double-chain-like and layered structures, respectively. They feature moderate second-harmonic-generation responses (0.33 × KH<sub>2</sub>PO<sub>4</sub> for <b>1</b> and 1.58 × KH<sub>2</sub>PO<sub>4</sub> for <b>2</b>), wide band gaps (4.68 eV for <b>1</b> and 4.59 eV for <b>2</b>), and large birefringences (0.210 at 546 nm for <b>1</b> and 0.295 at 546 nm for <b>2</b>). The structure-property relationship was explicated by first-principle calculations based on density functional theory.
Authors
- Ling Huang (ORCID: https://orcid.org/0000-0002-4007-5766)
- Zhien Lin (ORCID: https://orcid.org/0000-0002-5897-9114)
- Guohong Zou (ORCID: https://orcid.org/0000-0003-4527-0058)
- Daibing Luo (ORCID: https://orcid.org/0000-0003-4002-6371)
- Hongmei Zeng
- Yue Zhou (ORCID: https://orcid.org/0009-0003-4522-4892)
- Juan Cheng
Institutions
- Sichuan University (CN)
- Sichuan Normal University (CN)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2024-11-27
- DOI
- https://doi.org/10.1021/acs.inorgchem.4c04554
- Citations
- 11
- Primary Topic
- Nonlinear Optical Materials Research
- Type
- article
- Field-Weighted Citation Impact
- 1.30
Funders
- Fundamental Research Funds for the Central Universities