Persistent Self-Association of Solute Molecules in Solution
| Autor: | Weiwei Tang, Jingkang Wang, Junbo Gong, Sean Parkin, Mingtao Zhang, Tonglei Li, Huaping Mo |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
010405 organic chemistry
Chemistry Hydrogen bond Nucleation Stacking Crystal structure 010402 general chemistry 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films law.invention Solvent Crystal Crystallography law Materials Chemistry Molecule Physical and Theoretical Chemistry Crystallization |
| Zdroj: | The Journal of Physical Chemistry B. 121:10118-10124 |
| ISSN: | 1520-5207 1520-6106 |
| Popis: | The structural evolvement of a solute determines the crystallization outcome. The self-association mechanism leading to nucleation, however, remains poorly understood. Our current study explored the solution chemistry of a model compound, tolfenamic acid (TFA), in three different solvents mainly by solution NMR. It was found that hydrogen-bonded pairs of solute-solute or solute-solvent stack with each through forming a much weaker π-π interaction as the concentration increases. Depending on the solvent, configurations of the solution species may be retained in the resultant crystal structure or undergo rearrangement. Yet, the π-π stacking is always retained in the crystal regardless of the solvent used for the crystallization. The finding suggests that nucleation not only involves the primary intermolecular interaction (hydrogen bonding) but also engages the secondary forces in the self-assembly process. |
| Databáze: | OpenAIRE |
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