Tb(HSO₄)(SO₄) - a green emitting hydrogensulfate sulfate with second harmonic generation response

Area of Science:

• Inorganic Chemistry
• Materials Science
• Solid-State Chemistry

Background:

• Sulfates are emerging as promising materials for non-linear optical (NLO) applications.
• The exploration of novel sulfate compounds is crucial for advancing NLO technologies.

Purpose of the Study:

• To synthesize and characterize a new terbium-containing sulfate compound, Tb(HSO4)(SO4).
• To investigate its crystallographic, luminescent, and non-linear optical properties.

Main Methods:

• Solvothermal synthesis using Tb4O7 and sulfuric acid.
• Single-crystal X-ray diffraction for structural determination.
• Spectroscopic (luminescence, IR) and thermal analyses.
• Electrostatic calculations.

Main Results:

• Tb(HSO4)(SO4) crystallizes in the non-centrosymmetric space group P21.
• The compound exhibits green luminescence originating from f-f transitions.
• It displays a second harmonic generation (SHG) response comparable to potassium dihydrogen phosphate (KH2PO4).
• Weak coordination of sulfate anions was inferred from f-d excitation bands.

Conclusions:

• Tb(HSO4)(SO4) is a novel material with potential for non-linear optical applications.
• Its structure and properties make it a candidate for optoelectronic devices.
• Further research into related sulfate compounds could yield materials with enhanced NLO properties.