一个非π结合的分子晶体,具有平衡的第二和生成,带隙和双断裂
Yang Zhou1,2, Nan He3, Zheshuai Lin3
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, 350002, China.
Small (Weinheim an der Bergstrasse, Germany)
|September 9, 2023
概括
一种新的非π结合分子晶体,氨 (NH3BH3),为深紫外线非线性光学 (NLO) 应用提供了平衡的性能. 它显示了显著的第二和生成,深紫外线透明度和适度的双断.
科学领域:
- 材料科学 材料科学 材料科学
- 光学是什么?光学是什么?光学是什么?
- 固态化学 固态化学
背景情况:
- 传统的非线性光学 (NLO) 晶体在平衡第二和生成 (SHG),带隙和双断率方面面临挑战,特别是在深紫外线 (深紫外线) 应用中.
- 现有的NLO晶体通常是具有π结合群的离子晶体,这限制了它们在深紫外线光谱中的性能 (例如> 6.20 eV).
研究的目的:
- 报告一种新的非π结合分子晶体,氨 (NH3BH3),作为一种潜在的高性能深紫外NLO材料.
- 为了证明NH3BH3可以在SHG,深紫外透明度和双折射之间实现平衡.
主要方法:
- 非π结合分子晶体NH3BH3.3的合成和表征.
- 评估其非线性光学特性,包括第二生成 (SHG) 响应,带隙 (Eg) 和双折 (Δn).
- 将NH3BH3的性能与现有的NLO晶体进行比较.
主要成果:
- NH3BH3具有很大的SHG反应 (2.0 × KH2PO4在1064nm和0.45 × β-BaB2O4在532nm).
- 晶体表现出深紫外线透明度,带隙Eg> 6.53 eV和中度双断率 (Δn = 0.056@550 nm).
- NH3BH3显示出高质量系数 (0.32),超过非π结合硫酸盐和酸盐离子晶体,使用未抛光晶体观察到有效的SHG输出.
结论:
- 由于其平衡的特性,NH3BH3是深紫外线非线性光学应用的有希望的候选者.
- 这一发现为开发高性能深紫外NLO晶体开辟了新的途径,超出了传统的π合系统.
相关概念视频
02:58Crystal Field Theory - Octahedral Complexes
26.7K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.7K
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
42.8K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
42.8K
02:18X-ray Crystallography
24.0K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
24.0K