From Intermolecular Interactions to Texture in Polycrystalline Surfaces of 1,ω-alkanediols (ω = 10-13).

Area of Science:

• Materials Science
• Crystallography
• Supramolecular Chemistry

Background:

• Long-chain 1,ω-alkanediols exhibit different molecular arrangements.
• Understanding these differences is crucial for materials design.

Purpose of the Study:

• To explain the herringbone molecular arrangement differences in long-chain 1,ω-alkanediols.
• To correlate molecular interactions with crystalline morphology and texture.

Main Methods:

• Glancing Incidence X-ray Diffraction (GIXD) on polycrystalline samples.
• Multi-axial March-Dollase method for analyzing diffracted intensities.
• Molecular replacement using known crystal structures.

Main Results:

• Even-numbered alkanediols (n=10, 12) form monoclinic crystals with platelet-like orientation.
• Odd-numbered alkanediols (n=11, 13) form orthorhombic crystals with needle-like fiber texture.
• Hydrogen bond analysis explains structural differences and packing.

Conclusions:

• GIXD is effective for determining crystal structures and microstructures of medium complexity.
• Molecular interactions, including hydrogen bonds, dictate crystalline morphology and texture.
• Rapid GIXD analysis combined with molecular replacement is a viable method.