Concepedia

Three new polymorphs of 1,8-diacetylpyrene: a material with packing-dependent luminescence properties and a testbed for crystal structure prediction

Daniel Tchoń, David Bowskill, Isaac J. Sugden, Piotr Piotrowski, Anna Makal

Journal of Materials Chemistry C · 2021 · 16 citations · 61 references

DOI

Concepts

Abstract

New polymorphs of 1,8-diacetylpyrene (2′′AP) exhibit distinct packing-dependent and pressure-dependent luminescence in the solid state and illustrate the usefulness of crystal structure prediction methods.

References

61

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George M. Sheldrick · Acta Crystallographica Section A Foundations and Advances · 2014 · 28.6K citations · Full text

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Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

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