Multi-component crystals containing urea: mechanochemical synthesis and characterization by <sup>35</sup>Cl solid-state NMR spectroscopy and DFT calculations
Cameron S. Vojvodin, Sean T. Holmes, Lara K. Watanabe, Jeremy M. Rawson, Robert W. Schurko
Abstract
This work discusses the mechanochemical synthesis and characterization of five urea multicomponent crystals by XRD, solid-state NMR, DFT and ab initio molecular dynamics calculations to provide insights into their molecular-level structures.
Topics & Concepts
Characterization (materials science)Solid-state nuclear magnetic resonanceNuclear magnetic resonance spectroscopyUreaComponent (thermodynamics)Materials scienceSpectroscopyPhysical chemistryAb initioSolid-stateCrystallographyWork (physics)Molecular dynamicsComputational chemistryChemistryNanotechnologyNuclear magnetic resonanceOrganic chemistryThermodynamicsPhysicsQuantum mechanicsAdvanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallographyCrystallography and molecular interactions