In a recent study, a team of scientists, including Cluster Doctoral Researcher Nadine von Coelln, Postdoctoral Researchers Marjan Krstić and Christian Huck, and Principal Investigators Petra Tegeder, Carsten Rockstuhl, and Christof Wöll, developed a multiscale computational model to predict the optical response of chiral surface-anchored metal-organic frameworks (SURMOFs). Their approach integrates quantum-chemical simulations at the unit-cell level with electromagnetic scattering models for entire thin films. The team validated the model using infrared spectroscopy, IR-SNOM, and solid-state VCD, finding excellent agreement between theory and measurements. These results establish SURMOFs as powerful platforms for solid-state VCD and provide a robust tool for designing next-generation chiral MOF materials.
© Fingolo, A. C., et al. (2025), Adv. Funct. Mater., CC BY 4.0.