KCs2Pb2(HCOO)2Cl5 : A Lead Formate with Strong Second-Harmonic-Generation Response Obtained by an Anionic Substitution
Nonlinear optical (NLO) materials are playing an increasingly vital role in laser science and technology. Herein, we report a new lead formate, KCs2Pb2(HCOO)2Cl5, successfully synthesized by using mild mix-solvothermal methods. By the anionic substitution of a [CH3COO] group with a [HCOO] group, the dipole moment of the distorted [PbCl4O2] polyhedron is increased. In contrast, polarization from the anionic group and the volume of the unit cell are reduced. Hence, KCs2Pb2(HCOO)2Cl5 possesses a strong second-harmonic-generation (SHG) response of 4.2 times that of KH2PO4 (KDP), a transparent window covering 0.43-1.87 μm, a large band gap of 3.52 eV, and moderate birefringence (0.111064 nm). Systematic theoretical calculations illustrate the origin of the linear and nonlinear optical properties of KCs2Pb2(HCOO)2Cl5. This research provides a viable strategy for the design and synthesis of new NLO crystals.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2022 |
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| Erschienen: |
2022 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:61 |
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| Enthalten in: |
Inorganic chemistry - 61(2022), 2 vom: 17. Jan., Seite 1130-1135 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Zhou, Ziqi [VerfasserIn] |
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| Anmerkungen: |
Date Revised 18.01.2022 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1021/acs.inorgchem.1c03320 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM335004393 |
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| 100 | 1 | |a Zhou, Ziqi |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a KCs2Pb2(HCOO)2Cl5 |b A Lead Formate with Strong Second-Harmonic-Generation Response Obtained by an Anionic Substitution |
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| 500 | |a Date Revised 18.01.2022 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a Nonlinear optical (NLO) materials are playing an increasingly vital role in laser science and technology. Herein, we report a new lead formate, KCs2Pb2(HCOO)2Cl5, successfully synthesized by using mild mix-solvothermal methods. By the anionic substitution of a [CH3COO] group with a [HCOO] group, the dipole moment of the distorted [PbCl4O2] polyhedron is increased. In contrast, polarization from the anionic group and the volume of the unit cell are reduced. Hence, KCs2Pb2(HCOO)2Cl5 possesses a strong second-harmonic-generation (SHG) response of 4.2 times that of KH2PO4 (KDP), a transparent window covering 0.43-1.87 μm, a large band gap of 3.52 eV, and moderate birefringence (0.111064 nm). Systematic theoretical calculations illustrate the origin of the linear and nonlinear optical properties of KCs2Pb2(HCOO)2Cl5. This research provides a viable strategy for the design and synthesis of new NLO crystals | ||
| 650 | 4 | |a Journal Article | |
| 700 | 1 | |a Fu, Ruibiao |e verfasserin |4 aut | |
| 700 | 1 | |a Shui, Qirui |e verfasserin |4 aut | |
| 700 | 1 | |a Tang, Hongxin |e verfasserin |4 aut | |
| 700 | 1 | |a Bao, Wenxiu |e verfasserin |4 aut | |
| 700 | 1 | |a Ma, Zuju |e verfasserin |4 aut | |
| 700 | 1 | |a Wu, Xintao |e verfasserin |4 aut | |
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