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Halogen Bond Induced Structural and Photophysical Properties Modification in Organic-Inorganic Hybrid Manganese
Debendra Prasad Panda1, Diptikanta Swain2, Sounak Sarkar3
1School of Advanced Materials, and Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560064, India.
The Journal of Physical Chemistry Letters
|April 28, 2023
Summary
Halogen bonding influences structure and luminescence in organic-inorganic hybrid halides. This study reveals type-II halogen bonding drives structural changes and modulates photophysical properties in novel manganese compounds.
Area of Science:
- Materials Science
- Crystallography
- Photophysics
Background:
- Organic-inorganic hybrid (OIH) halides are versatile materials.
- The role of halogen bonding in OIH halides is underexplored.
- Halogen bonding can enhance material stability and tune properties.
Purpose of the Study:
- Investigate the impact of halogen bonding on OIH halide structure.
- Explore how halogen bonding influences photophysical properties.
- Synthesize and characterize novel manganese-based OIH halides.
Main Methods:
- Single-crystal X-ray diffraction for structural analysis.
- Synthesis of organic-inorganic hybrid manganese chlorides.
- Photoluminescence spectroscopy to study emission properties.
- Computational analysis of electron density and intermolecular interactions.
Main Results:
- Synthesized (2-methylbenzimidazolium)MnCl3(H2O)·H2O (1D chains) and (5-chloro-2-methylbenzimidazolium)2MnCl4 (0D tetrahedra).
- Identified type-II halogen bonding between organic C-Cl and inorganic Cl-Mn ions driving structural transformation.
- Observed red emission in compound 1 and dual-band emission in compound 2 due to energy transfer.
Conclusions:
- Halogen bonding plays a crucial role in dictating the structural framework of OIH halides.
- Type-II halogen bonding mediates the transition from 1D to 0D structures.
- Halogen bonding and energy transfer mechanisms significantly modulate the photoluminescence of these hybrid materials.
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