NaRb6(B4O5(OH)4)3(BO2) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO2-

Fenghua Ding; Kent J. Griffith; Weiguo Zhang; Shaoxin Cui; Chi Zhang; Yiran Wang; Kendall Kamp; Hongwei Yu; P. Shiv Halasyamani; Zhihua Yang; Shilie Pan; Kenneth R. Poeppelmeier

doi:10.1021/jacs.2c12069

NaRb₆(B₄O₅(OH)₄)₃(BO₂) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO₂^-

Fenghua Ding, Kent J. Griffith, Weiguo Zhang, Shaoxin Cui, Chi Zhang, Yiran Wang, Kendall Kamp, Hongwei Yu, P. Shiv Halasyamani, Zhihua Yang, Shilie Pan, Kenneth R. Poeppelmeier^*

^*Corresponding author for this work

Chemistry

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

43 Scopus citations

Abstract

Noncentrosymmetric (NCS) structures are of particular interest owing to their symmetry-dependent physical properties, e.g., pyroelectricity, ferroelectricity, piezoelectricity, and nonlinear optical (NLO) behavior. Among them, chiral materials exhibit polarization rotation and host topological properties. Borates often contribute to NCS and chiral structures via their triangular [BO₃] and tetrahedral [BO₄] units and their numerous superstructure motifs. However, no chiral compound with the linear [BO₂] unit has been reported to date. Herein, an NCS and chiral mixed-alkali-metal borate, NaRb₆(B₄O₅(OH)₄)₃(BO₂), with a linear BO₂^- unit in the structure was synthesized and characterized. The structure features a combination of three types of basic building units (BBUs), [BO₂], [BO₃], and [BO₄] with sp-, sp²-, and sp³-hybridization of boron atoms, respectively. It crystallizes in the trigonal space group R32 (No. 155), one of the 65 Sohncke space groups. Two enantiomers of NaRb₆(B₄O₅(OH)₄)₃(BO₂) were found, and their crystallographic relationships are discussed. These results not only expand the small family of NCS structures with the rare linear BO₂^- unit but also prompt recognition to the fact that NLO materials have generally overlooked the existence of two enantiomers in achiral Sohncke space groups.

Original language	English (US)
Pages (from-to)	4928-4933
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	145
Issue number	9
DOIs	https://doi.org/10.1021/jacs.2c12069
State	Published - Mar 8 2023

ASJC Scopus subject areas

General Chemistry
Biochemistry
Catalysis
Colloid and Surface Chemistry

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10.1021/jacs.2c12069

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@article{29b7782e611b405998636f0cf130017a,

title = "NaRb6(B4O5(OH)4)3(BO2) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO2-",

abstract = "Noncentrosymmetric (NCS) structures are of particular interest owing to their symmetry-dependent physical properties, e.g., pyroelectricity, ferroelectricity, piezoelectricity, and nonlinear optical (NLO) behavior. Among them, chiral materials exhibit polarization rotation and host topological properties. Borates often contribute to NCS and chiral structures via their triangular [BO3] and tetrahedral [BO4] units and their numerous superstructure motifs. However, no chiral compound with the linear [BO2] unit has been reported to date. Herein, an NCS and chiral mixed-alkali-metal borate, NaRb6(B4O5(OH)4)3(BO2), with a linear BO2- unit in the structure was synthesized and characterized. The structure features a combination of three types of basic building units (BBUs), [BO2], [BO3], and [BO4] with sp-, sp2-, and sp3-hybridization of boron atoms, respectively. It crystallizes in the trigonal space group R32 (No. 155), one of the 65 Sohncke space groups. Two enantiomers of NaRb6(B4O5(OH)4)3(BO2) were found, and their crystallographic relationships are discussed. These results not only expand the small family of NCS structures with the rare linear BO2- unit but also prompt recognition to the fact that NLO materials have generally overlooked the existence of two enantiomers in achiral Sohncke space groups.",

author = "Fenghua Ding and Griffith, {Kent J.} and Weiguo Zhang and Shaoxin Cui and Chi Zhang and Yiran Wang and Kendall Kamp and Hongwei Yu and Halasyamani, {P. Shiv} and Zhihua Yang and Shilie Pan and Poeppelmeier, {Kenneth R.}",

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T1 - NaRb6(B4O5(OH)4)3(BO2) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO2-

AU - Ding, Fenghua

AU - Griffith, Kent J.

AU - Zhang, Weiguo

AU - Cui, Shaoxin

AU - Zhang, Chi

AU - Wang, Yiran

AU - Kamp, Kendall

AU - Yu, Hongwei

AU - Halasyamani, P. Shiv

AU - Yang, Zhihua

AU - Pan, Shilie

AU - Poeppelmeier, Kenneth R.

PY - 2023/3/8

Y1 - 2023/3/8

N2 - Noncentrosymmetric (NCS) structures are of particular interest owing to their symmetry-dependent physical properties, e.g., pyroelectricity, ferroelectricity, piezoelectricity, and nonlinear optical (NLO) behavior. Among them, chiral materials exhibit polarization rotation and host topological properties. Borates often contribute to NCS and chiral structures via their triangular [BO3] and tetrahedral [BO4] units and their numerous superstructure motifs. However, no chiral compound with the linear [BO2] unit has been reported to date. Herein, an NCS and chiral mixed-alkali-metal borate, NaRb6(B4O5(OH)4)3(BO2), with a linear BO2- unit in the structure was synthesized and characterized. The structure features a combination of three types of basic building units (BBUs), [BO2], [BO3], and [BO4] with sp-, sp2-, and sp3-hybridization of boron atoms, respectively. It crystallizes in the trigonal space group R32 (No. 155), one of the 65 Sohncke space groups. Two enantiomers of NaRb6(B4O5(OH)4)3(BO2) were found, and their crystallographic relationships are discussed. These results not only expand the small family of NCS structures with the rare linear BO2- unit but also prompt recognition to the fact that NLO materials have generally overlooked the existence of two enantiomers in achiral Sohncke space groups.

AB - Noncentrosymmetric (NCS) structures are of particular interest owing to their symmetry-dependent physical properties, e.g., pyroelectricity, ferroelectricity, piezoelectricity, and nonlinear optical (NLO) behavior. Among them, chiral materials exhibit polarization rotation and host topological properties. Borates often contribute to NCS and chiral structures via their triangular [BO3] and tetrahedral [BO4] units and their numerous superstructure motifs. However, no chiral compound with the linear [BO2] unit has been reported to date. Herein, an NCS and chiral mixed-alkali-metal borate, NaRb6(B4O5(OH)4)3(BO2), with a linear BO2- unit in the structure was synthesized and characterized. The structure features a combination of three types of basic building units (BBUs), [BO2], [BO3], and [BO4] with sp-, sp2-, and sp3-hybridization of boron atoms, respectively. It crystallizes in the trigonal space group R32 (No. 155), one of the 65 Sohncke space groups. Two enantiomers of NaRb6(B4O5(OH)4)3(BO2) were found, and their crystallographic relationships are discussed. These results not only expand the small family of NCS structures with the rare linear BO2- unit but also prompt recognition to the fact that NLO materials have generally overlooked the existence of two enantiomers in achiral Sohncke space groups.

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NaRb₆(B₄O₅(OH)₄)₃(BO₂) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO₂^-

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CCDC 2211144: Experimental Crystal Structure Determination

CCDC 2150529: Experimental Crystal Structure Determination

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NaRb6(B4O5(OH)4)3(BO2) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO2-

Abstract

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CCDC 2211144: Experimental Crystal Structure Determination

CCDC 2150529: Experimental Crystal Structure Determination

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NaRb₆(B₄O₅(OH)₄)₃(BO₂) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO₂^-