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Polymorphism refers to the existence of a drug substance in multiple crystalline forms, known as polymorphs. Recently, this term has been expanded to include solvates (forms containing a solvent), amorphous forms (non-crystalline forms), and desolvated solvates (forms from which the solvent has been removed).
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BaMo3O10 Polymorphs with Tunable Symmetries and Properties.

Xiangyu Long1, Ran An2,3, Yan Lv1

  • 1State Key Laboratory of Chemistry and Utilization of Carbon Based Energy Resources, College of Chemistry, Xinjiang University, Urumqi 830017, People's Republic of China.

Inorganic Chemistry
|June 20, 2023
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Researchers discovered a new barium molybdate, α-BaMo3O10, and its phase transition to β-BaMo3O10. This transition tunes optical properties, revealing β-BaMo3O10 as a novel nonlinear-optical crystal.

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Area of Science:

  • Solid-state chemistry
  • Materials science
  • Crystallography

Background:

  • Polymorphism significantly impacts crystalline material properties.
  • The BaO-MoO3 system is explored for novel compounds.

Purpose of the Study:

  • Discover new barium molybdates in the BaO-MoO3 system.
  • Investigate phase transitions and their effect on optical properties.
  • Identify nonlinear-optical (NLO) properties of barium molybdates.

Main Methods:

  • Systematic exploration of the BaO-MoO3 binary system.
  • Temperature-dependent phase transition studies.
  • Experimental and theoretical optical property analysis.
  • Crystallographic structure determination.

Main Results:

  • Discovery of a new barium molybdate, α-BaMo3O10.
  • Confirmation of a temperature-dependent phase transition from α-BaMo3O10 to β-BaMo3O10.
  • Tunable linear and nonlinear optical properties observed upon phase transition.
  • Identification of β-BaMo3O10 as a novel nonlinear-optical crystal.
  • Theoretical analysis confirmed the origin of optical properties related to structural symmetry.

Conclusions:

  • Structural changes in BaMo3O10 polymorphs lead to tunable optical properties.
  • The discovery of β-BaMo3O10 expands the scope of NLO materials.
  • Polymorphism is a key strategy for designing materials with tailored optical functionalities.