ArticleThe journal of physical chemistry. B2012
The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterization.
Article in The journal of physical chemistry. B, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed, 66 citations in OpenAlex.
- Low-Temperature Formation and Photophysics of Phloroglucinol-Derived Carbonaceous Materials Under Air and Vacuum.International journal of molecular sciences · 2026Article
- Chemical and physical equilibria shape dual ice-nucleation pathways in an organic crystal.Communications chemistry · 2026Article
- Article
- Nonaqueous Interfacial Polymerization-Derived Polyphosphazene Films for Sieving or Blocking Hydrogen Gas.ACS applied polymer materials · 2023Article
- Orcinol and resorcinol induce local ordering of water molecules near the liquid-vapor interface.Environmental science: atmospheres · 2022Article
- SupramolecularMolecules (Basel, Switzerland) · 2022Article
- Expanding the Solid Form Landscape of Bipyridines.Crystal growth & design · 2021Article
- Experimental and Computational Hydrate Screening: Cytosine, 5-Flucytosine and Their Solid Solution.Crystal growth & design · 2017Article
- Why do Hydrates (Solvates) Form in Small Neutral Organic Molecules? Exploring the Crystal Form Landscapes of the Alkaloids Brucine and Strychnine.Crystal growth & design · 2016Article
- Stoichiometric and Non-Stoichiometric Hydrates of Brucine.Crystal growth & design · 2016Article
- 4-Aminoquinaldine monohydrate polymorphism: Prediction and impurity aided discovery of a difficult to access stable form.CrystEngComm · 2016Article
- Computational and Experimental Characterization of Five Crystal Forms of Thymine: Packing Polymorphism, Polytypism/Disorder and Stoichiometric 0.8-Hydrate.Crystal growth & design · 2016Article
- Structural Properties, Order-Disorder Phenomena, and Phase Stability of Orotic Acid Crystal Forms.Molecular pharmaceutics · 2016Article
- Navigating the Waters of Unconventional Crystalline Hydrates.Molecular pharmaceutics · 2015Article
- Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.CrystEngComm · 2015Article
- Creatine: Polymorphs Predicted and Found.Crystal growth & design · 2014Article
- Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.Molecular pharmaceutics · 2014Article
- Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.Crystal growth & design · 2013Article
- Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.Crystal growth & design · 2013Article
- Exploring the solid-form landscape of pharmaceutical hydrates: transformation pathways of the sodium naproxen anhydrate-hydrate system.Pharmaceutical research · 2013Article
Corrections and comments
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Authors and funding
4 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Hydrate formation is of great importance as the inclusion of water molecules affects many solid state properties and hence determines the required chemical processing, handling, and storage. Phloroglucinol is industrially important, and the observed differences in the morphology and diffuse scattering effects with growth conditions have been scientifically controversial. We have studied the anhydrate and dihydrate of phloroglucinol and their transformations by a unique combination of complementary experimental and computational techniques, namely, moisture sorption analysis, hot-stage microscopy, differential scanning calorimetry, thermogravimetry, isothermal calorimetry, single crystal and powder X-ray diffractometry, and crystal energy landscape calculations. The enthalpically stable dihydrate phase is unstable below 16% relative humidity (25 °C) and above 50 °C (ambient humidity), and the kinetics of hydration/dehydration are relatively rapid with a small hysteresis. A consistent atomistic picture of the thermodynamics of the hydrate/anhydrate transition was derived, consistent with the disordered single X-ray crystal structure and crystal energy landscape showing closely related low energy hydrate structures. These structures provide models for proton disorder and show stacking faults as intergrowth of different layers are possible. This indicates that the consequent variability in crystal surface features and diffuse scattering with growth conditions is not a practical concern.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.