EUROPEAN POLYMER JOURNAL
·
2014
·
IF 3.242
Xiaonan Chen,Jiliang Zhang,WeiWei Wei,Zhenhua Jiang,Yunhe Zhang
A series of novel organic hyperbranched metal phthalocyanines (HMePcs) oligomers were synthesized for investigating their third-order nonlinear optical (NLO) properties. The third-order NLO coefficient was measured by Z-scan technique with a pulsed Q-switched Nd:YAG nanosecond laser at 532 nm. The HMePcs showed large molecular cubic hyperpolarizabilities ( γ ) whose values were of the order of 10 −29 esu. The variation of substituent groups of and center metal of HMePcs influenced the third-order optical nonlinearity. The presence of electron-withdrawing substituents-fluoro in the phthalocyanine brings about a noticeable improvement of the third-order nonlinear susceptibility χ (3) in these systems and the third-order nonlinear susceptibility χ (3) values of different metal hyperbranched metal (Cu, Ni, Co) phthalocanines oligomers were found to decrease in the order HCuPc > HNiPc > HCoPc.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
Inorganic Chemistry Frontiers
·
2025
·
IF 6.4
Lei Wu,Xudong Leng,Bao Jiang,Xueyin Fu,Yi Huang,Xue Yu,Qun Jing,Zhaohui Chen
By leveraging second-harmonic generation (SHG) capabilities, ultraviolet (UV) nonlinear optical (NLO) crystals can efficiently produce UV coherent light and are essential components for advancing UV solid-state laser systems. Herein, two new bismuth phosphates, Rb1.32Bi3.56P2O11 (I) and K1.08Bi3.64P2O11 (II), were synthesized via a high-temperature melt method. Of them, Rb1.32Bi3.56P2O11 exhibits a significant phase-matching SHG response (2.8 × KDP) and large birefringence (0.062 @ 532 nm, 0.053@1064 nm), along with an expanded UV transmission window. Moreover, theoretical analyses revealed that the optimized optical polarizability of Rb1.32Bi3.56P2O11 primarily arises from the cooperative effects of the one-dimensional (1D) polycationic Bi(2)Bi(2)×Bi(1)Bi(1)×Bi(1)Bi(1)×Bi(2)Bi(2) ribbons and [PO4] tetrahedron. We believe the work will provide a valuable strategy to design UV NLO materials with good performances.
研究领域:
材料科学
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光学
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无机化学
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固体物理
✓ 已验证
产品关联
DOI
高影响因子
LIQUID CRYSTALS
·
2023
·
IF 2.2
Ran Chen,Zihao Mao,Jiaxing Tang,Xinbing Chen,Pei Chen,Zhongwei An
Liquid crystal (LC) mixtures with high birefringence (∆n) and low rotational viscosity play an essential role for fast-response LC devices. However, high birefringence and low rotational viscosity are a pair of contradictory performance parameters. In this work, two high-∆n LC diluters are proposed to achieve a fine balance between them. These two terminal olefin diluters containing a rigid biphenyl core with a lateral fluorine substituent, a buty-3-enyl terminal group and a flexible n-alkyl chain were designed and synthesised through classical organic synthetic reactions. Meanwhile, their comprehensive properties were further evaluated in a LC mixture P02-F containing fluoro-tolane and a LC mixture P12-ISO containing isothiocyano-tolane. The results show that the biphenyl diluters 2BBF2V and 3BFB2V could effectively decrease the Tm of LC mixture P12-ISO to below −25°C, while maintain high ∆n and large Δε, which are suitable for the high-∆n LC mixtures containing isothiocyano-tolane. Furthermore, DFT calculations of molecular conformation and polarisability components were utilised to correlate the experimental findings.
研究领域:
材料科学
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化学
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液晶技术
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有机合成
✓ 已验证
DOI
高影响因子
Chemical Science
·
2024
·Vol. 15
·期 41
·17114-17119
·
IF 7.6
Lin-Tao Jiang,Xiao-Ming Jiang,Yu-Hang Fan,Bin-Wen Liu,Guo-Cong Guo
Infrared birefringent crystals that hold significant importance for optoelectronic application have been rarely reported. Traditional tetrahedral PS4, ethane-like P2S6, and octahedral InS6 units in thiophosphates typically manifest near isotropy, often resulting in extremely small birefringence. However, this study prepares α-Rb2InP2S7 (1), β-Rb2InP2S7 (2), and Cs2InP2S7 (3), consisting of the aforementioned microstructures, notably exhibiting the highest refractive index difference or birefringence values (0.247, 0.298, and 0.250 at 546 nm, respectively) among thiophosphates, the middle one being larger than that of commercial birefringent materials. This unusual increase in birefringence can be primarily attributed to two key factors: (1) simultaneous stretching and compressing of the P–S and In–S covalent bond interactions, generating high polarizability anisotropy of InS6, PS4, and P2S6 polyhedral units; (2) the additional incorporation of alkali metals that further reduces the dimensionality of the crystal structure, creating one-dimensional [InP2S7]2− structures with increasing polarizability anisotropy. This study presents an alternative approach to enhance birefringent materials by reconstructing covalent bond interactions and specific spatial arrangements.
研究领域:
材料科学
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光电子学
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晶体学
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固体化学
✓ 已验证
DOI
高影响因子
DALTON TRANSACTIONS
·
2020
·Vol. 49
·期 10
·3284-3292
·
IF 4.174
Xinyuan Zhou,Junben Huang,Gemei Cai,Hengwei Zhou,Yineng Huang,Xin Su
The structure–property relationship of photoelectric functional materials has been recognized as a hot topic. The study of the inner link between the band gaps and birefringence of optical materials is extremely crucial for the design and creation of novel optical devices, but still remains rather unexplored. In this work, taking a series of borates with only planar-triangular BO3 groups, α-/β-TM3(BO3)2 (TM = Zn, Cd), Cd2B2O5, and M3(BO3)2 (M = Hg, Mg, Ca, Sr) as the research subject, the comprehensive relationship between their electronic structures and linear optical properties has been systematically investigated. Through combining experimental measurements and theoretical calculations, the effect of optical polarizability on the birefringence of these borates was clarified. Based on the present discussion, the relationship between the O (2p) bandwidth of the highest valence band and the HSE06 band gaps is opposite. Meanwhile, a method involving the determination of so-called optical permittivity Δε to evaluate the magnitude of birefringence Δn is found to be feasible. A large Δε makes a positive contribution to Δn. In addition, the experimentally measured band gaps and IR vibrations are in good agreement with theoretical results for the compounds α-Cd3(BO3)2 and Cd2B2O5.
研究领域:
材料科学
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光学
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光电功能材料
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CRYSTAL GROWTH & DESIGN
·
2025
·
IF 3.4
Yaqi Qin,Xiaoyu Feng,Jinkang Ma,Fanghao Xuan,Kaiwen Hu,Lifeng Cao,Dongwei Zhai,Bing Teng
Two novel chalcone crystals, 5MFTF (C15H11F3O2, P1) and 5MFTN (C14H11NO4, P1), were successfully synthesized by introducing trifluoromethyl and nitro substituents, respectively. Growth of the crystals was carried out by a slow evaporation solution method. The structures of the crystals were successfully verified by the results of 1H NMR, FT-IR, and powder XRD tests. The crystal stacking arrangements of 5MFTF and 5MFTN were characterized via a single-crystal X-ray diffraction (XRD) technique. The second-harmonic generation (SHG) measurements revealed that 5MFTF exhibited an SHG intensity 7.5 times that of potassium dihydrogen phosphate (KDP), while 5MFTN showed a SHG intensity 5.2 times that of KDP. The hyperpolarizability and FMOs were also calculated. In order to reveal the microscopic charge transfer mechanism in crystalline materials (5MFTF and 5MFTN), hole–electron analysis and interfragment charge transfer were calculated. 5MFTN crystal exhibited higher thermal decomposition temperatures compared to the other chalcone crystals (Tm ≈ 207 °C). All of these results indicate that the 5MFTF and 5MFTN crystals are promising for optical applications.
研究领域:
材料科学
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光学材料
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晶体工程
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非线性光学
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有机合成
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2020
·
IF 2.463
Zhengjun Fang,Shengqiong Tan,Feng Wu,Yinchun Jiao,Chaktong Au,Yuting Wang,Jing Shen,Bing Yi
Solvent and substituent effects on the ultraviolet absorption properties of Schiff bases were targeted both experimentally and computationally. A wide set of X-PhCH = NPhCH = CHPh-Y were prepared for this study, and their maximum absorption wavelength ( λ max ) and the corresponding energy (υ max ) in thirteen solvents were measured. The results show that the λ max of the compounds ranges from 347 to 388 nm. With increase of electron withdrawing or electron donating ability of X or Y, a bathochromic shift is observed. Furthermore, the λ max values are sensitive to the properties of solvents, while the polarity of solvents alone fails to account for the trends of solvatochromism . Computational analyses based on density functional theory were conducted to elucidate the phenomena. The polarization effect of solvent on solute can be used to measure the effect of solvent, and polarizability parameter Δη is proved to be more effective to scale the solvent effects on UV absorption of the compounds. Finally, a quantitative model has been developed to express the effects of substituent and solvent on υ max . The derived model enables practical expression of the relationship between substituents, solvents and UV absorption.
研究领域:
物理化学
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计算化学
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光化学
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分子光谱学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF COORDINATION CHEMISTRY
·
2022
·
IF 1.869
Ke-Lai Chen,Yi-Lin Xu,Ke Yin,Yu Cai,Yan-Lin Chen,Yong-Zhen He,Jia-Yu Yu,Wen-Xu Zheng,Chun-Lin Ni
The title inorganic-organic hybrid material containing a mixed anion, [BzIQl]2[Zn(NCS)2Br2] (1) (BzIQl = benzyl isoquinolinium, NCS− = isothiocyanate), crystallizes with a benzyl isoquinolinium cation and half of a bis(bromo)-bis(isothiocyanate)zinc(II) anion in the asymmetric unit. It was characterized by elemental analysis, Fourier transform infrared spectroscopy (FTIR), ultraviolet-visible spectroscopy (UV-Vis), electrospray ionization mass spectrometry (ESI-MS), and powder and single crystal X-ray diffraction (PXRD and SC-XRD). The organic cation exhibits a Λ-shaped configuration in which two aromatic rings form an inclined dihedral angle of 90.12°. The ZnII ion in the anion is coordinated by two Br ions and two isothiocyanate ions, and two contiguous anions forms a dimer through S···Br interactions. The thermal stability of the hybrid crystal analyzed by thermogravimetric-differential thermal analysis (TG-DTA) reveals that the title crystal was stable up to 170 °C. The PXRD study confirms the phase purity of the crystalline sample. The band gap energy between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) explains the eventual charge transfer interaction that take place mainly between the anion and [BzIQl]+ cation, and the low value (0.46 ev) indicates the suitability of the crystal for optical application. The first hyperpolarizability predicted using density functional theory (DFT) is more than 720 times that of the reference potassium dihydrogen phosphate crystal (KDP).
研究领域:
无机-有机杂化材料
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晶体学
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光学材料
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材料科学
✓ 已验证
DOI
高影响因子
JOURNAL OF SOLID STATE CHEMISTRY
·
2022
·
IF 3.656
Qiaoxin Zhang,Rukang Li
A sodium tantalum phosphate Na 5 Ta 8 P 5 O 35 has been successfully obtained by spontaneous crystallization in high temperature solution. It belongs to the noncentrosymmetric R 32 space group with a = 8.895 (2) Å, c = 29.992 (12) Å and Z = 3. The structure resembles those of tungsten bronzes with main building blocks of the [Ta 6 O 27 ] unit composed of 2 × 3 corner-sharing Ta1O 6 octahedra . [Ta 6 O 27 ] units are joined by two P1O 4 tetrahedra and two Ta2O 6 octahedra forming a [Ta 8 P 2 O 29 ] ∞ layer in the bc plane. Those layers are further connected via P2O 4 groups along the c direction leaving triangular and pentagonal tunnels in the 3-dimensional framework. Both sodium atoms reside in the pentagonal tunnel with Na1 (9 d ) site partially occupied (2/3). The Ta 5+ ions show second-order Jahn-Teller effects with TaO 6 distortions that are favorable to obtain large hyperpolarizabilities . Powder Kurtz-Perry test and reflectance spectroscopy studies reveal that it exhibits moderate second harmonic effect of about 0.5 × KH 2 PO 4 and an optical band gap of 3.93 eV.
研究领域:
材料科学
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固体化学
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光学材料
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2014
·Vol. 4
·期 91
·50277-50284
·
IF 3.708
Zonghai Shi,Yunshan Zhou,Lijuan Zhang,Cuncun Mu,Haizhou Ren,Daf ul Hassan,Di Yang,Hafiz Muhammad Asif
Three new supramolecular compounds [H2TPP]1.5[SW11VO40]·5CH3CN·4H2O 1, [H2TPP]2[SW10V2O40]·4CH3CN·3H2O 2, and [H2TPP][SW12O40]·4H2O 3 composed of [H2TPP]2+ cation and vanadium substituted Keggin-type polyoxometalate (POM) anion [SW12−nVnO40](2+n)− (n = 0–2) were prepared and characterized. The third-order nonlinear optical (NLO) and optical limiting (OL) properties of resulting hybrids were studied by using an Nd:YAG laser at 532 nm with a pulse duration of τ = 7 ns. The results demonstrate that all of these supramolecular compounds have significant nonlinear reverse saturated absorption, self-defocusing behavior, and good OL performance, especially for compound 1, which has a second hyperpolarizability γ value of 7.05 × 10−29 (esu) and exhibits a comparable OL performance with the most well-known OL materials such as In(Pc*)Cl indicating that they are potentially excellent NLO materials. Remarkably, it was also observed that the degree of vanadium substitution in POM anions corresponding to different onset of reduction potential influences the NLO and OL properties of the resulting compounds: third-order NLO and OL properties of compound 2 are inferior to those of compound 1, and are better than those of compound 3. Both their second hyperpolarizability γ values and the OL performance were observed to be inversely proportional to the HOMO–LUMO gaps of the resulting compounds. The excited charge transfer from porphyrin to POM anions in the supramolecular compounds when exposed to laser irradiation is thought to play key role in the enhancement of NLO and OL response.
研究领域:
材料科学
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光学
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化学
✓ 已验证
DOI
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2022
·Vol. 24
·期 39
·24495-24502
·
IF 3.945
Min Zhu,Jiale Ding,Sen Niu,Yunhe Zhang,Guibin Wang
The construction of molecules with effective photoinduced intramolecular electron transfer (PET) and energy transfer (ET) processes is critical for the enhancement of the nonlinear optical (NLO) properties. A novel D–π–A type compound, namely tetra (C60)–LaPc, has been constructed from a molecular design perspective, wherein tetra-formyl phthalocyanine is used as a donor, four C60 as acceptors and the phenylacetylene group is introduced into it as π-electron bridge, which can increase the molecular conjugation, reduce the spatial site resistance and expand the coplanarity of the molecule, thus making the intramolecular charge transfer easier. Tetra (C60)–LaPc achieves excellent NLO properties with a giant nonlinear absorption coefficient (45 cm GW−1 and large third-order susceptibility (4.05 × 10−10 esu), which are superior to those of LaPc and C60. In addition to exhibiting a superior nonlinear optical response at 532 nm compared to the single component, tetra (C60)–LaPc also broadens the limiting range to the near-infrared region, showing a significant enhancement of the optical nonlinearity at 1064 nm. This can be attributed to the synergistic effect of the different non–linear absorption mechanisms between C60 and LaPc and the efficient PET process.
研究领域:
材料科学
·
光学
·
化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Materials Chemistry C
·
2024
·
IF 5.7
Jialin Zeng,Shuangcheng Li,Yahui Zhu,Zilong Geng,Yiting Luo,Ruibiao Fu,Zuju Ma
Nonlinear optical (NLO) crystals are of importance in modern lasers, high-precision micromachining, ultrahigh resolution photolithography and advanced scientific equipment. Herein, we have rationally obtained two new lead oxybromides, A3[Pb2Br5(OOC(CH2)3COO)] (A = Rb, Cs), with a strong second-harmonic generation (SHG) response and large birefringence. Two neighboring highly distorted [PbBr4O2] polyhedrons with high polarizability and anisotropic polarization are bridged by the flexible glutarate group and one Br− anion to form a large [Pb2Br7(OOC(CH2)3COO)] group. Interestingly, the large [Pb2Br7(OOC(CH2)3COO)] groups are induced by Rb+/Cs+ cations into an oriented alignment, leading to the effective superimposition of their microscopic second-order susceptibility and the enhancement of optical anisotropy. Notably, Rb3[Pb2Br5(OOC(CH2)3COO)] exhibits good comprehensive NLO performance, including a strong phase-matching SHG response of 3.1 × KDP, a large birefringence of 0.207@546 nm, a wide high transparency window, easy growth of large single crystals, as well as good thermal stability up to 240 °C under an air atmosphere. On the basis of their crystal structures and theoretical calculations, their strong SHG responses mainly stem from the highly distorted [PbBr4O2] polyhedron. This research provides an effective strategy for the design and pursuit of high-performance NLO crystals in the future.
研究领域:
材料科学
·
光学
·
晶体学
·
化学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）