(SO3CF3)−: A Non-π-Conjugated Motif for Nonlinear Optical Crystals Transparent into the Deep-Ultraviolet Region,Advanced Optical Materials

当前位置： X-MOL 学术 › Adv. Opt. Mater. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

(SO3CF3)−: A Non-π-Conjugated Motif for Nonlinear Optical Crystals Transparent into the Deep-Ultraviolet Region
Advanced Optical Materials ( IF 8.0 ) Pub Date : 2023-10-09 , DOI: 10.1002/adom.202301725
Bohui Xu _{1,

2} , Pifu Gong ₁ , Fan Liu _{1,

2} , Xingyu Zhang _{1,

2} , Hao Huo _{1,

2} , Zheshuai Lin _{1,

2,

3}

Affiliation

The search for new ultraviolet (UV) or deep-UV nonlinear optical (NLO) crystals would greatly prompt the development of laser science and technology. As the NLO performance of these crystals is mainly determined by the anionic groups, herein the (SO₃CF₃)⁻ group is highlighted as a promising non-π-conjugated NLO-active motif with excellent deep-ultraviolet (DUV) transmission and good NLO properties. First-principles studies reveal that this group possesses the largest HUMO-LOMO gap among the (SO₄)²⁻-based units, as well as a relatively large NLO response. The further experiments demonstrate that the CsSO₃CF₃ compound containing the (SO₃CF₃)⁻ motif exhibits th UV cutoff edge below 200 nm and an NLO effect ≈0.8× KH₂PO₄, confirming the potentials of this new motif for UV and DUV NLO applications.

中文翻译：

(SO3CF3)−：一种透明至深紫外区域的非线性光学晶体的非π共轭基序

寻找新的紫外（UV）或深紫外非线性光学（NLO）晶体将极大地促进激光科学技术的发展。由于这些晶体的 NLO 性能主要由阴离子基团决定，因此 (SO ₃ CF ₃ ) ^-基团被强调为一种有前途的非 π 共轭 NLO 活性基序，具有优异的深紫外 (DUV) 透射率和良好的非线性光学性质。第一性原理研究表明，该组在(SO ₄ ) ²⁻基单元中拥有最大的 HUMO-LOMO 差距，以及相对较大的 NLO 响应。进一步的实验表明，含有(SO ₃ CF ₃ ) ^{-基序的CsSO}₃ CF ₃化合物表现出低于200 nm的紫外截止边缘和NLO效应≈0.8× KH ₂ PO ₄，证实了这种新基序在紫外光方面的潜力。和 DUV NLO 应用。

更新日期：2023-10-09

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南