(3‐C6H10N2)ZnX4 (X = Cl and Br): Two Excellent UV Nonlinear Optical Crystals Designed by Combination of π‐conjugated and [ZnX4]2− Tetrahedral Units DOI Open Access
Chuanying Shen, Jie Liu, Defu Sun

et al.

Small, Journal Year: 2025, Volume and Issue: unknown

Published: March 27, 2025

To design excellent UV nonlinear optical crystals, via a combination of the two genes, planar π-conjugated 3-(aminomethyl)pyridinium ((3-AMP)2+, (C6H10N2)2+) and d10 metallic tetrahedral anion, novel organic-inorganic hybrid (3-C6H10N2)ZnX4 (X = Cl Br) bulk crystals are synthesized using simple solution method. Remarkably, they exhibit performances, including in short absorption edge (229 235 nm), robust second harmonic generation (SHG) intensity (2.05 4.36 × KDP), suitable large birefringence (0.129-0.144@546 nm) phase-matching wavelength (238 262 nm). First-principles calculations elucidate that SHG performances (3-AMP)ZnCl4 (3-AMP)ZnBr4 dominated by synergetic contributions (C6H10N2)2+ distorted [ZnX4]2- groups. This research not only provides NLO-active genes but also paves way for efficient exploration rational new NLO materials with optimal balanced performances.

Language: Английский

(3‐C6H10N2)ZnX4 (X = Cl and Br): Two Excellent UV Nonlinear Optical Crystals Designed by Combination of π‐conjugated and [ZnX4]2− Tetrahedral Units DOI Open Access
Chuanying Shen, Jie Liu, Defu Sun

et al.

Small, Journal Year: 2025, Volume and Issue: unknown

Published: March 27, 2025

To design excellent UV nonlinear optical crystals, via a combination of the two genes, planar π-conjugated 3-(aminomethyl)pyridinium ((3-AMP)2+, (C6H10N2)2+) and d10 metallic tetrahedral anion, novel organic-inorganic hybrid (3-C6H10N2)ZnX4 (X = Cl Br) bulk crystals are synthesized using simple solution method. Remarkably, they exhibit performances, including in short absorption edge (229 235 nm), robust second harmonic generation (SHG) intensity (2.05 4.36 × KDP), suitable large birefringence (0.129-0.144@546 nm) phase-matching wavelength (238 262 nm). First-principles calculations elucidate that SHG performances (3-AMP)ZnCl4 (3-AMP)ZnBr4 dominated by synergetic contributions (C6H10N2)2+ distorted [ZnX4]2- groups. This research not only provides NLO-active genes but also paves way for efficient exploration rational new NLO materials with optimal balanced performances.

Language: Английский

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