Na3B6O10(HCOO): an ultraviolet nonlinear optical sodium borate-formate

Yi Nan Zhang; Qing Fen Li; Bing Ben Chen; You Zhao Lan; Jian Wen Cheng; Guo Yu Yang

doi:10.1039/d2qi01410f

Na₃B₆O₁₀(HCOO): an ultraviolet nonlinear optical sodium borate-formate

Yi Nan Zhang, Qing Fen Li, Bing Ben Chen, You Zhao Lan, Jian Wen Cheng^*, Guo Yu Yang^*

^*Corresponding author for this work

School of Chemistry and Chemical Engineering

Zhejiang Normal University

Research output: Contribution to journal › Article › peer-review

23 Citations (Scopus)

Abstract

A new sodium borate-formate, Na₃B₆O₁₀(HCOO) (1), has been successfully synthesized in a surfactant-thermal system. Compound 1 crystallizes in the orthorhombic system, with the polar P2₁2₁2₁ space group and the parameters a = 7.6375(8) Å, b = 9.9345(9) Å, c = 12.7231(13) Å, V = 965.36(17) Å³, and Z = 4. Compound 1 contains basic building units of (B₆O₁₃)⁸⁻, and each (B₆O₁₃)⁸⁻ unit connects with six other neighboring units and forms a novel 3D open-framework with 9R channels. The channels accommodate Na⁺ ions and HCOO⁻ units. The whole framework can be simplified as a pcu-type net. Compound 1 shows a moderate second-harmonic-generation (SHG) signal, a short cut-off edge in the ultraviolet (UV) region, and a suitable birefringence of 0.062 at 1064 nm. These characteristics reveal that compound 1 is a promising UV nonlinear optical crystal. Density functional theory calculations show that the B-O and HCOO⁻ units are responsible for the nonlinear optical properties of 1.

Original language	English
Pages (from-to)	5032-5038
Number of pages	7
Journal	Inorganic Chemistry Frontiers
Volume	9
Issue number	19
DOIs	https://doi.org/10.1039/d2qi01410f
Publication status	Published - 8 Aug 2022

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@article{b4900eace23948e2a20e5c39a20f37b1,

title = "Na3B6O10(HCOO): an ultraviolet nonlinear optical sodium borate-formate",

abstract = "A new sodium borate-formate, Na3B6O10(HCOO) (1), has been successfully synthesized in a surfactant-thermal system. Compound 1 crystallizes in the orthorhombic system, with the polar P212121 space group and the parameters a = 7.6375(8) {\AA}, b = 9.9345(9) {\AA}, c = 12.7231(13) {\AA}, V = 965.36(17) {\AA}3, and Z = 4. Compound 1 contains basic building units of (B6O13)8−, and each (B6O13)8− unit connects with six other neighboring units and forms a novel 3D open-framework with 9R channels. The channels accommodate Na+ ions and HCOO− units. The whole framework can be simplified as a pcu-type net. Compound 1 shows a moderate second-harmonic-generation (SHG) signal, a short cut-off edge in the ultraviolet (UV) region, and a suitable birefringence of 0.062 at 1064 nm. These characteristics reveal that compound 1 is a promising UV nonlinear optical crystal. Density functional theory calculations show that the B-O and HCOO− units are responsible for the nonlinear optical properties of 1.",

author = "Zhang, {Yi Nan} and Li, {Qing Fen} and Chen, {Bing Ben} and Lan, {You Zhao} and Cheng, {Jian Wen} and Yang, {Guo Yu}",

note = "Publisher Copyright: {\textcopyright} 2022 The Royal Society of Chemistry.",

year = "2022",

month = aug,

day = "8",

doi = "10.1039/d2qi01410f",

language = "English",

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TY - JOUR

T1 - Na3B6O10(HCOO)

T2 - an ultraviolet nonlinear optical sodium borate-formate

AU - Zhang, Yi Nan

AU - Li, Qing Fen

AU - Chen, Bing Ben

AU - Lan, You Zhao

AU - Cheng, Jian Wen

AU - Yang, Guo Yu

PY - 2022/8/8

Y1 - 2022/8/8

N2 - A new sodium borate-formate, Na3B6O10(HCOO) (1), has been successfully synthesized in a surfactant-thermal system. Compound 1 crystallizes in the orthorhombic system, with the polar P212121 space group and the parameters a = 7.6375(8) Å, b = 9.9345(9) Å, c = 12.7231(13) Å, V = 965.36(17) Å3, and Z = 4. Compound 1 contains basic building units of (B6O13)8−, and each (B6O13)8− unit connects with six other neighboring units and forms a novel 3D open-framework with 9R channels. The channels accommodate Na+ ions and HCOO− units. The whole framework can be simplified as a pcu-type net. Compound 1 shows a moderate second-harmonic-generation (SHG) signal, a short cut-off edge in the ultraviolet (UV) region, and a suitable birefringence of 0.062 at 1064 nm. These characteristics reveal that compound 1 is a promising UV nonlinear optical crystal. Density functional theory calculations show that the B-O and HCOO− units are responsible for the nonlinear optical properties of 1.

AB - A new sodium borate-formate, Na3B6O10(HCOO) (1), has been successfully synthesized in a surfactant-thermal system. Compound 1 crystallizes in the orthorhombic system, with the polar P212121 space group and the parameters a = 7.6375(8) Å, b = 9.9345(9) Å, c = 12.7231(13) Å, V = 965.36(17) Å3, and Z = 4. Compound 1 contains basic building units of (B6O13)8−, and each (B6O13)8− unit connects with six other neighboring units and forms a novel 3D open-framework with 9R channels. The channels accommodate Na+ ions and HCOO− units. The whole framework can be simplified as a pcu-type net. Compound 1 shows a moderate second-harmonic-generation (SHG) signal, a short cut-off edge in the ultraviolet (UV) region, and a suitable birefringence of 0.062 at 1064 nm. These characteristics reveal that compound 1 is a promising UV nonlinear optical crystal. Density functional theory calculations show that the B-O and HCOO− units are responsible for the nonlinear optical properties of 1.

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DO - 10.1039/d2qi01410f

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EP - 5038

JO - Inorganic Chemistry Frontiers

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ER -

Na₃B₆O₁₀(HCOO): an ultraviolet nonlinear optical sodium borate-formate

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