LiB₉O₁₅·H₂dap·H₂O: A Cotemplated Acentric Layer-Pillared Borate Built by Mixed Oxoboron Clusters

Area of Science:

• Inorganic Chemistry
• Materials Science
• Crystal Engineering

Background:

• Development of novel inorganic-organic hybrid materials with unique structural architectures.
• Exploration of materials with nonlinear optical (NLO) properties for advanced applications.
• Synthesis and characterization of borate-based frameworks.

Purpose of the Study:

• To synthesize and characterize a novel acentric layer-pillared borate material.
• To investigate the structural features and dimensionality of the resulting framework.
• To evaluate the nonlinear optical properties of the synthesized compound.

Main Methods:

• Solvothermal synthesis technique.
• Single-crystal X-ray diffraction for structural determination.
• Second harmonic generation (SHG) measurements.

Main Results:

• Successful synthesis of LiB9O15·H2dap·H2O (1) under solvothermal conditions.
• Formation of a 3D layer-pillared framework constructed from B6O13(8-) layers and B3O7(5-) pillars.
• The framework features 13- and 7-membered ring channels occupied by organic (H2dap(2+)) and inorganic (Li+) cations.
• Observed SHG response approximately 2.1 times that of potassium dihydrogen phosphate (KDP).

Conclusions:

• The study reports the first synthesis of an acentric layer-pillared borate, LiB9O15·H2dap·H2O.
• The unique 3D framework with accessible channels holds potential for host-guest chemistry.
• The significant NLO performance suggests potential applications in optical devices.