Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phase transitions
Alexander E. J. Hoffman, Irena Senkovska, Jelle Wieme, А. С. Крылов, Stefan Kaskel, Véronique Van Speybroeck
Abstract
The flexibility of soft porous crystals is influenced by RUMs. Via static DFT calculations, the effect of building block substitutions on the RUMs in winerack MOFs is investigated, giving insight in the flexible nature of these frameworks.
Topics & Concepts
Flexibility (engineering)Terahertz radiationPorosityMaterials sciencePhase (matter)Block (permutation group theory)Phase transitionUnit (ring theory)Chemical physicsCrystallographyCondensed matter physicsPhysicsChemistryComposite materialOptoelectronicsGeometryMathematicsQuantum mechanicsMathematics educationStatisticsLuminescence Properties of Advanced MaterialsMetal-Organic Frameworks: Synthesis and ApplicationsInorganic Fluorides and Related Compounds