Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics

Sohi, Takin Haj Hassani; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera

doi:10.1039/d2ce00589a

Cited by 2 publications

(1 citation statement)

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“…Other ways to induce different emission colors in crystals involve co-crystallization techniques. [20][21][22] Although these few examples show that modulating the luminescent properties of a given compound by forcing it to crystallize in different polymorphs is feasible, experience demonstrates that it is a complex and unpredictable process and it is desirable to explore other more simple ways of influencing the structure-properties relations for organic luminescent materials.…”

Section: Introductionmentioning

confidence: 99%

Tunable emission in the visible range from a single organic fluorophore through time-controlled morphological evolution

et al. 2023

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Section: Introductionmentioning

confidence: 99%

Tunable emission in the visible range from a single organic fluorophore through time-controlled morphological evolution

et al. 2023

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A Comparison Study of Roseolumiflavin Solvates: Structural and Energetic Perspective on Their Stability

Haj Hassani Sohi,

Maass,

Czekelius

et al. 2023

Crystals

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Roseolumiflavin is a deep red microcrystalline derivative of isoalloxazine that exhibits a weak photophysical activity in the solid state. In aqueous as well as in acidic solution of formic or acetic acid, respectively, it tends to form solvates. Herein, we present a set of binary and ternary roseolumiflavin solvates including one hydrate and a solvate hydrate. The impact of the solvent on solvate formation along with an in-depth structural analysis was investigated. Calculations of the lattice energies provide insight into the phase stability of the evaluated systems showing an energetic benefit for all solvates with values up to −395.82 kJ/mol. The total interaction energies between molecules calculated via Crystal Explorer further identified cofacial π···π stacks to be the most strongly bonding fragments in the crystal lattices for all systems except the formic acid solvate, followed by remarkably weaker hydrogen-bonded arrangements. The energetic contributions of single intermolecular interactions within the fragments are evaluated by an atoms-in-molecules approach. It is shown that physicochemical properties, such as thermal stability, can be tuned depending on the incorporated solvent molecules despite a high decomposition temperature of the chromophore.

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Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics

Abstract: A structural study on the solid, microcrystalline chromophore roseolumiflavin has been carried out. Based on rational design considerations, three binary co-crystals were prepared with a primary focus set on utilizing...

Cited by 2 publications

References 54 publications

Tunable emission in the visible range from a single organic fluorophore through time-controlled morphological evolution

Tunable emission in the visible range from a single organic fluorophore through time-controlled morphological evolution

A Comparison Study of Roseolumiflavin Solvates: Structural and Energetic Perspective on Their Stability

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