<i>In silico</i> design to enhance the barrier height for magnetization reversal in Dy(<scp>iii</scp>) sandwich complexes by stitching them under the umbrella of corannulene
Tanu Sharma, Mukesh Kumar Singh, Radhika Gupta, Munmun Khatua, Gopalan Rajaraman
Abstract
Bringing half-sandwich Dy( iii ) SIMs under the umbrella of corannulene was found to offer stability, greater barrier height and may offer higher blocking temperatures.
Topics & Concepts
Image stitchingCorannuleneMolecular dynamicsNanotechnologyMaterials scienceChemistryCrystallographyPhysicsComputational chemistryMoleculeOpticsOrganic chemistryMagnetism in coordination complexesLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications