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Two Acentric Borates with 2-/3-D Frameworks: Syntheses, Structures, and Nonlinear Optical Properties.

Jin-Ni Zhao¹, Guo-Yu Yang¹

¹MOE Key Laboratory of Cluster Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 102488, China.

Inorganic Chemistry

|July 15, 2026

Summary

New alkali and main group metal borates were synthesized. These compounds show potential as deep ultraviolet nonlinear optical crystals due to their short absorption edges and second harmonic generation responses.

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Area of Science:

Inorganic Chemistry
Materials Science
Crystal Engineering

Background:

Alkali and main group metal borates are crucial in materials science.
Developing novel borate materials with desirable optical properties is an ongoing research area.
Solvothermal synthesis offers a versatile route to crystalline materials.

Purpose of the Study:

To synthesize novel alkali and main group metal borates.
To investigate the crystal structures and properties of the synthesized compounds.
To evaluate their potential as deep ultraviolet nonlinear optical (NLO) materials.

Main Methods:

Solvothermal synthesis was employed for material preparation.
Single-crystal X-ray diffraction was used for structural determination.
Optical absorption and second harmonic generation (SHG) measurements were performed.

Main Results:

Two new borates, K3[B5O8(OH)]·HCOO (1) and Al[B5O10]·2NH2(CH3)2 (2), were successfully synthesized.
Compound 1 features a 2D layer forming a 3D supramolecular framework via hydrogen bonds.
Compound 2 exhibits a 3D aluminoborate framework with six types of channels and is structurally related to compound 1.
Both compounds show short deep ultraviolet (DUV) absorption cutoff edges.
Moderate second harmonic generation (SHG) responses (2.0 and 1.5 times that of KDP for 1 and 2, respectively) were observed.

Conclusions:

The synthesized borates possess unique structural architectures.
Their optical properties suggest significant potential for applications in deep ultraviolet nonlinear optics.
The structural relationship between the 2D layered and 3D open-framework compounds highlights interesting dehydroxylation and chiral incorporation pathways.