Sulfamide: A Promising Deep-Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2 (NH2 )2 ] Tetrahedra

Haotian Tian; Ning Ye; Min Luo

doi:10.1002/anie.202200395

Sulfamide: A Promising Deep-Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO₂ (NH₂ )₂ ] Tetrahedra

Angew Chem Int Ed Engl. 2022 Apr 19;61(17):e202200395. doi: 10.1002/anie.202200395. Epub 2022 Mar 2.

Authors

Haotian Tian^{1

2}, Ning Ye³, Min Luo¹

Affiliations

¹ Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, China.
² University of the Chinese Academy of Sciences, Beijing, 100049, China.
³ Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystal, Tianjin University of Technology, Tianjin, 300384, China.

PMID: 35179290
DOI: 10.1002/anie.202200395

Abstract

For the first time, the polar covalent tetrahedron [SO₂ (NH₂ )₂ ] is revealed as a new deep-ultraviolet (DUV) nonlinear optical (NLO)-active unit according to theoretical calculations. Furthermore, sulfamide consisting of polar [SO₂ (NH₂ )₂ ] units was confirmed as an excellent candidate as a DUV NLO crystal. Sulfamide provides the optimal balance between composition, structure, and properties, in addition to a very short absorption of 160 nm. It achieves multiple optical performance records for non-π-conjugated DUV NLO materials, including the strongest second harmonic generation (SHG) efficiency (about 4 times that of KDP), the largest birefringence (obv.: 0.07@589.3 nm) and the shortest SHG wavelength predicted as 188 nm.

Keywords: Birefringence; Deep-Ultraviolet; Non-π-Conjugated; Nonlinear Optical Materials; Sulfamides.

Abstract

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