三角平面 [HgSe3](4-) 単位:高い感受性と物理化学的安定性を持つIR非線形光学材料における新しい種類の基本機能群
Chao Li1,2, Wenlong Yin3,4, Pifu Gong1,2
1Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, P.R. China.
Journal of the American Chemical Society
|May 4, 2016
まとめ
新しい水銀セレニドBaHgSe2が合成され,有意な非線形光学 (NLO) 反応を示した. 独特の三角形平面 [HgSe3](4-) ユニットは,新しい赤外線NLO材料を開発する可能性を秘めています.
科学分野:
- 材料科学
- 固体化学
- 光電子機器
背景:
- 非線形光学 (NLO) 材料は,高度な光学技術にとって不可欠です.
- 性能と安定性を向上させる新しいNLO材料の開発は,依然として重要な課題です.
- カルコピライトのような伝統的なNLO材料は,新しい構造モチーフの探求を必要とする制限があります.
研究 の 目的:
- 新しいセレニド化合物 BaHgSe2を合成し,特徴づけること.
- 新しい材料の非線形光学特性を調べるため
- 次世代のIR NLO材料を設計するためのユニークな構造ユニットの可能性を調査する.
主な方法:
- 固体反応によるBaHgSe2の合成
- X線微分を用いた構造的特徴化.
- 非線形光学特性 (NLO) の測定
- 化学結合と電子構造の分析
主要な成果:
- 空気安定のBaHgSe2の合成が成功し 均一に溶けました
- 大きな非線形光学応答の観測.
- 結晶構造内の角共有 [HgSe3](4-) 三角形の平面単位を識別する.
- これらのユニットは,IR NLOアプリケーションのための新しい機能グループとして提案されています.
結論:
- BaHgSe2は赤外線非線形光学のための有望な新材料です.
- 三角平面の[HgSe3](4-) アニオンは,高いNLO感受性と安定性を与える新しい機能群である.
- この発見は,従来のカルコピライトを超えて,実用的なIR NLO材料を設計するための新しい道を開きます.
さらに関連する動画
関連する概念動画
03:24Hybridization of Atomic Orbitals I
69.2K
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
69.2K
01:08IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations
2.1K
Identical bonds within a polyatomic group can stretch symmetrically (in-phase) or asymmetrically (out-of-phase). Similar to hydrogen bonding, these vibrations also influence the shape of the IR peak. Generally, asymmetric stretching frequencies are higher than symmetric stretching frequencies. For example, primary amines exhibit two distinct IR peaks between 3300–3500 cm−1 corresponding to the symmetric and asymmetric N-H stretching, while secondary amines exhibit a single...
2.1K
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
49.5K
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,...
49.5K
01:24IR Spectroscopy: Molecular Vibration Overview
5.9K
When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
5.9K
01:21IR Absorption Frequency: Hybridization
1.6K
Hydrocarbons such as alkanes, alkenes, and alkynes show characteristic C–H stretching absorption bands. These IR stretching frequencies depend on the hybridization of the involved carbon atom and can be explained in terms of the s character of each hybridized atomic orbital.
Among the sp, sp2, and sp3 hybridized orbitals, sp orbitals have the maximum s character (50%). Consequently, the electrons are held more closely to the nucleus, resulting in stronger and shorter C–H bonds that...
Among the sp, sp2, and sp3 hybridized orbitals, sp orbitals have the maximum s character (50%). Consequently, the electrons are held more closely to the nucleus, resulting in stronger and shorter C–H bonds that...
1.6K
04:01VSEPR Theory and the Effect of Lone Pairs
54.1K
Effect of Lone Pairs of Electrons on Molecule Geometry
54.1K