Polymorphism Steered Thermochromism in a Sulfonamide

ACS Applied Optical Materials, Journal Year: 2024, Volume and Issue: 2(8), P. 1709 - 1720

Published: Aug. 12, 2024

Color polymorphism is a rare but intriguing phenomenon, crucial for fundamental understanding and with broad implications number of industries. We report the facile preparation six color polymorphs (forms I–VI) sulfonamide. All forms have been structurally characterized, studies attribute to molecular rotations about C═N–C–C dihedral (torsion 1). A definite correlation between wavelength value torsion 1 has established, indicating tendency red-shift decrease in values 1. Remarkable reversible (four forms) irreversible (two thermochromism arises due controlled small large angle rotations, respectively. Conformational energy scans suggest that are located one two basins. Computational crystal structure prediction (CSP) was performed, taking into account flexibility correctly locate all on form landscape. The temperature-induced enantiotropic phase transition III IV rationalized using free calculations within harmonic approximation. Overall, this work reports record simple compound striking chromism thermochromic behavior emphasizes importance joint experimental computational approach controlling conformationally flexible organic molecules.

Language: Английский

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Multifunctional Single-component Organic Molecular Materials: Ferroelectricity, Negative Thermal Expansion, and Polymorphism

Materials Advances, Journal Year: 2024, Volume and Issue: 5(19), P. 7495 - 7515

Published: Jan. 1, 2024

The evolution of research on ferroelectricity and unusual thermal expansion properties in organic molecular crystals their existence polymorphic forms have been highlighted to pinpoint the importance such materials electronics.

Language: Английский

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The ROY family's growing palette: Insights into recent compound additions and color range expansion - a short review

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1318, P. 139220 - 139220

Published: July 5, 2024

Language: Английский

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Insights into polymorphism and inclusion properties in organic compounds

Discover Chemistry., Journal Year: 2024, Volume and Issue: 1(1)

Published: Nov. 25, 2024

Polymorphism is critical in applied sectors like pharmaceuticals and specialized industries due to the distinct physicochemical properties of different polymorphs. Despite advances analytical techniques, understanding polymorphism inclusion organic compounds remains challenging. especially true for all flexible pharmaceutical compounds, which are difficult crystallize into single, pure forms by formation solvates. So, challenge fabricate polymorphs without solvates making it hard distinguish them experimentally. Thus, a significant research gap emerges with limited information generate accurately using current research. further study needed on templating strategies designing host molecules, crystallization conditions better control polymorph formation. Addressing these gaps will deepen application compounds. This work explores terms stability, characterization, physical chemical properties, aiming provide foundation future support development new models novel lead

Language: Английский

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Polymorphism in 5-methylsalicylic acid: Insights into relative thermal behavior, luminescent properties, crystal structure, and Hirshfeld surface analysis

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1319, P. 139397 - 139397

Published: July 23, 2024

Language: Английский

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