2-Amino-pentanoic acid and 1-Pyridiniumylacetate are new additives to generate distinct morphs of salt crystals: A combined computational and experimental study
| Autor: | Mrinal Kanti Si, Sumit Kumar Pramanik, Vinayak Hingu, Bishwajit Ganguly |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
chemistry.chemical_classification
Morphology (linguistics) 010405 organic chemistry Plane (geometry) Organic Chemistry Salt (chemistry) 010402 general chemistry 01 natural sciences 0104 chemical sciences Analytical Chemistry Inorganic Chemistry Rhombic dodecahedron Crystal Crystallography chemistry Octahedron Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 1175:728-733 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2018.08.024 |
| Popis: | The combined computational and experimental studies arrived at a conclusion that these two compounds can influence the morphology of salt crystals, which is contrary to the previous report. The periodic surface three dimensional (3D)-slab model computed results predict that 2-amino-pentanoic acid binds preferentially with {110} plane of NaCl compared to {100} and {111} planes, however, the 1-Pyridiniumylacetate showed preferences to {111} planes of NaCl. The experimental results corroborate the computational findings that 2-amino-pentanoic acid form the rhombic dodecahedron and 1-Pyridiniumylacetate form the octahedron morphology of crystal with NaCl as confirmed with SEM and P-XRD analyses. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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