Rational Design of the First Lead/Tin Fluorooxoborates MB2 O3 F2 (M = Pb, Sn), Containing Flexible Two-Dimensional [B6 O12 F6 ]∞ Single Layers with Widely Divergent Second Harmonic Generation Effects

Journal of the American Chemical Society
Min LuoZheshuai Lin

Abstract

Molecular engineering design is a productive atomic-scale strategy to optimize crystal structure and develop new functional materials. Herein, the first lead/tin fluorooxoborates, MB2O3F2 (M = Pb, Sn), were rationally designed by employing the nonlinear optical crystal Sr2Be2B2O7 (SBBO) as a parent model. Compared with the rigid [Be6B6O15]∞ double layers in SBBO, MB2O3F2 have flexible two-dimensional [B6O12F6]∞ single layer, which not only keeps the NLO-favorable layered structure but also overcomes the structural instability issues of SBBO. Both compounds exhibited desired short UV cutoff edge. Interestingly, MB2O3F2 exhibit widely divergent second harmonic responses, although they are isostructural and both contain stereochemically active lone-pair cations. Our first-principles calculations revealed that the SHG difference is mainly attributed to the different anisotropies of Pb and Sn SHG-active orbitals, which make constructive and destructive contributions to the SHG effects in PbB2O3F2 and SnB2O3F2, respectively.

References

Aug 27, 2010·Journal of the American Chemical Society·Yi-Zhi HuangYong-Fan Zhang
Jul 23, 2011·Journal of the American Chemical Society·Sau Doan NguyenP Shiv Halasyamani
Nov 23, 2013·Journal of the American Chemical Society·Guohong ZouHui Huang
Dec 21, 2013·Journal of the American Chemical Society·Peng YuLing Chen
Jan 8, 2014·Journal of the American Chemical Society·Hongwei YuJames M Rondinelli
Feb 11, 2015·Angewandte Chemie·Sangen ZhaoJunhua Luo
Dec 22, 2015·Journal of the American Chemical Society·Hongwei YuP Shiv Halasyamani
Jul 13, 2016·Journal of the American Chemical Society·Lin LiShilie Pan
Jul 19, 2016·Journal of the American Chemical Society·Ming-Li LiangJiang-Gao Mao
Jul 21, 2017·Journal of the American Chemical Society·Guoqiang ShiKenneth R Poeppelmeier
Sep 19, 2017·Dalton Transactions : an International Journal of Inorganic Chemistry·Yunxia SongZheshuai Lin
Jan 18, 2018·Chemical Communications : Chem Comm·Yunxia SongZheshuai Lin

❮ Previous
Next ❯

Citations

Nov 13, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·S J HanH H Yu
Jul 19, 2018·Chemistry : a European Journal·Guopeng HanShilie Pan
Dec 1, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Fangfang HeGuohong Zou
Nov 2, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Changcheng TangChuangtian Chen
Feb 13, 2019·Chemistry : a European Journal·Yi YangZheshuai Lin
Apr 25, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Zhuang LiYicheng Wu
Apr 2, 2019·Chemistry : a European Journal·Chunmei HuangShilie Pan
Jun 22, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Martin J SchäferHenning A Höppe
Jun 25, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Yanjun LiP Shiv Halasyamani
Aug 2, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Jinjie ZhouYicheng Wu
Oct 18, 2019·Chemistry, an Asian Journal·Qingran DingJunhua Luo
Dec 14, 2019·Chemical Communications : Chem Comm·Xiao-Han ZhangJiang-Gao Mao
Nov 22, 2019·Advanced Materials·Shumeng ChiHuaijin Zhang
Jan 8, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Xianghe MengMingjun Xia
Jan 10, 2020·Chemistry : a European Journal·Ce Tao, Rukang Li
Feb 27, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Xinyuan ZhouXin Su
Apr 15, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Zhonglei WeiShilie Pan
Jun 24, 2020·Chemical Communications : Chem Comm·Shihang ChuXianran Xing
Oct 22, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Philip NetzschHenning A Höppe
Apr 4, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Fangfang HeGuohong Zou
Nov 22, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Yuandan DengZhien Lin
Sep 16, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Mengmeng DingYicheng Wu
Dec 15, 2020·Chemical Reviews·Miriding MutailipuShilie Pan
Jun 29, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Zilong ChenFeng Yu

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.