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Published on: April 14, 2020
Unexpected Polymorphism in Bromoantimonate(III) Complexes and Its Effect on Optical Properties.
Andrey N Usoltsev1, Taisiya S Sukhikh1, Alexander S Novikov2
1Nikolaev Institute of Inorganic Chemistry SB RAS, Lavrentieva St., 630090 Novosibirsk, Russia.
New antimony bromide complexes exhibit unusual Sb···Br interactions, leading to distinct solid-state structures and deep orange coloration. These findings shed light on structure-property relationships in antimony-halide chemistry.
Area of Science:
- Inorganic Chemistry
- Solid-State Chemistry
- Materials Science
Background:
- Antimony(V) bromide complexes are known for diverse structural motifs.
- Understanding noncovalent interactions is crucial for predicting material properties.
Purpose of the Study:
- To synthesize and characterize novel antimony(V) bromide complexes.
- To investigate the role of Sb···Br interactions in solid-state structures and optical properties.
Main Methods:
- Reaction of [SbBr6]3- with pyridine-based ligands in HBr solutions.
- Single-crystal X-ray diffraction for structural determination.
- Density Functional Theory (DFT) calculations.
Main Results:
- Formation of deep orange Cat[SbBr5] complexes (1 and 2) with unusual Sb···Br contacts.
- Transformation of 1 into binuclear (C2Py)2[Sb2Br10] (polymorphs 3 and 4).
- Transformation of 2 into polymeric (3,5-MePy){[SbBr4]} (5).
- DFT calculations suggest Sb···Br contacts influence optical properties.
Conclusions:
- The study reveals novel antimony(V) bromide structures driven by Sb···Br interactions.
- These interactions are linked to the observed deep orange color, highlighting structure-property relationships.
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