Synthesis, structure and electronic properties of new NON linear optical material: Cd(SCN)2(L-C9H11NO2)·H2O

Jabbar, Rahma; Michaud, François; Kamoun, S.

doi:10.1016/j.solidstatesciences.2019.04.012

“…Specifically, reducing the S content not only breaks the symmetry of[CdN 2 S 4 ] octahedron, which leads to the formation of the NCS structure but also has the potential to increase the band gap of the structure. Literature investigations reveal that a gradual decrease in the S content in [CdN 2 S 4 ] octahedral promotes octahedral [CdN 2 OS 3 ] [20] and [CdN 2 O 2 S 2 ] [21] distortions with an improved band gap and SHG, which further encourages us to regulate the S content. Impressively, when we choose 2‐methylimidazole instead of thiourea, its larger spatial site resistance will be conducive to the further excitation of the strong SHG of the thiocyanate system.…”

Section: Introductionmentioning

confidence: 99%

From Cd(SCN)₂(CH₄N₂S)₂ to Cd(SCN)₂(C₄H₆N₂)₂: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

Kang,

Yang,

Gou

et al. 2024

Angewandte Chemie

0

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Combining a strong second‐order nonlinear optical (NLO) effect (>1×KH2PO4 (KDP)), a large bandgap (>4.2 eV), and a moderate birefringence in ultraviolet (UV) NLO crystals remains a formidable challenge. Herein, Cd(SCN)2(C4H6N2)2, the first example of a thiocyanate capable of realizing a phase‐matched UV NLO crystal material, is obtained by reducing the sulfur (S) content in the centrosymmetric (CS) structure of Cd(SCN)2(CH4N2S)2. Compared to the "shoulder‐to‐shoulder" one‐dimensional (1D) chain of Cd(SCN)2(CH4N2S)2, Cd(SCN)2(C4H6N2)2 has a different sawtooth 1D chain structure. Cd(SCN)2(CH4N2S)2 has second harmonic generation (SHG) inertia with a bandgap of 3.90 eV and a UV cutoff edge of 342 nm, however, it possesses a large birefringence (0.35@546 nm). In contrast, the symmetry center breaking of Cd(SCN)2(C4H6N2)2 leads to remarkably strong SHG intensity (10 times that of KDP). Furthermore, it has a wide bandgap (4.74 eV), short UV cutoff edge (234 nm), and moderate birefringence capable of phase matching (0.17@546 nm). This research indicates that thiocyanates are a promising class of UV NLO crystal materials, and that modulation of the sulfur content of CS thiocyanates is an effective strategy for the development of UV NLO crystals with excellent overall performances.

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From Cd(SCN)₂(CH₄N₂S)₂ to Cd(SCN)₂(C₄H₆N₂)₂: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

Kang,

Yang,

Gou

et al. 2024

View full text Add to dashboard Cite

Combining a strong second‐order nonlinear optical (NLO) effect (>1×KH2PO4 (KDP)), a large bandgap (>4.2 eV), and a moderate birefringence in ultraviolet (UV) NLO crystals remains a formidable challenge. Herein, Cd(SCN)2(C4H6N2)2, the first example of a thiocyanate capable of realizing a phase‐matched UV NLO crystal material, is obtained by reducing the sulfur (S) content in the centrosymmetric (CS) structure of Cd(SCN)2(CH4N2S)2. Compared to the "shoulder‐to‐shoulder" one‐dimensional (1D) chain of Cd(SCN)2(CH4N2S)2, Cd(SCN)2(C4H6N2)2 has a different sawtooth 1D chain structure. Cd(SCN)2(CH4N2S)2 has second harmonic generation (SHG) inertia with a bandgap of 3.90 eV and a UV cutoff edge of 342 nm, however, it possesses a large birefringence (0.35@546 nm). In contrast, the symmetry center breaking of Cd(SCN)2(C4H6N2)2 leads to remarkably strong SHG intensity (10 times that of KDP). Furthermore, it has a wide bandgap (4.74 eV), short UV cutoff edge (234 nm), and moderate birefringence capable of phase matching (0.17@546 nm). This research indicates that thiocyanates are a promising class of UV NLO crystal materials, and that modulation of the sulfur content of CS thiocyanates is an effective strategy for the development of UV NLO crystals with excellent overall performances.

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Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4′-dimethyl-2,2′-dipyridyl

Tamer

¹

,

Avcı

²

,

Dege

³

et al. 2020

Journal of Molecular Structure

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Synthesis, structure and electronic properties of new NON linear optical material: Cd(SCN)2(L-C9H11NO2)·H2O

Cited by 6 publications

References 33 publications

From Cd(SCN)₂(CH₄N₂S)₂ to Cd(SCN)₂(C₄H₆N₂)₂: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

From Cd(SCN)₂(CH₄N₂S)₂ to Cd(SCN)₂(C₄H₆N₂)₂: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

From Cd(SCN)₂(CH₄N₂S)₂ to Cd(SCN)₂(C₄H₆N₂)₂: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4′-dimethyl-2,2′-dipyridyl

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Synthesis, structure and electronic properties of new NON linear optical material: Cd(SCN)2(L-C9H11NO2)·H2O

Cited by 6 publications

References 33 publications

From Cd(SCN)2(CH4N2S)2 to Cd(SCN)2(C4H6N2)2: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

From Cd(SCN)2(CH4N2S)2 to Cd(SCN)2(C4H6N2)2: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

From Cd(SCN)2(CH4N2S)2 to Cd(SCN)2(C4H6N2)2: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4′-dimethyl-2,2′-dipyridyl

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From Cd(SCN)₂(CH₄N₂S)₂ to Cd(SCN)₂(C₄H₆N₂)₂: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

From Cd(SCN)₂(CH₄N₂S)₂ to Cd(SCN)₂(C₄H₆N₂)₂: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

From Cd(SCN)₂(CH₄N₂S)₂ to Cd(SCN)₂(C₄H₆N₂)₂: Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials