A close view of the organic linker in a MOF: structural insights from a combined <sup>1</sup>H NMR relaxometry and computational investigation
Silvia Pizzanelli, Susanna Monti, Larisa G. Gordeeva, Marina V. Solovyeva, Angelo Freni, Claudia Forte
Abstract
N averaged electric field gradient tensor. The experimental findings were complemented by quantum chemistry calculations and classical molecular dynamics simulations.
Topics & Concepts
RelaxometryLinkerChemistryComputational chemistryComputer scienceMagnetic resonance imagingSpin echoOperating systemMedicineRadiologyAdvanced NMR Techniques and ApplicationsElectron Spin Resonance StudiesSolid-state spectroscopy and crystallography