Fragment-based approach for the efficient calculation of the refractive index of metal–organic frameworks

Treger, Marvin; König, Carolin; Behrens, Peter; Schneider, Andreas

doi:10.1039/d3cp02356g

Search citation statements

Order By: Relevance

Paper Sections

Select...

Introduction1

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2023

2024

Publication Types

Select...

Article2

Other1

Relationship

Self Cite0

Independent3

Authors

Journals

Cited by 3 publications

(1 citation statement)

References 96 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…2 is estimated to be 1.37. 10 The ordered pores lower the refractive index relative to zirconia which has a refractive index close to 2. 11 Further, the hard crystalline nature of the nanomaterials formed by these MOFs don't allow tight packing which further lowers the refractive index of the film due to air being present between the packed nanomaterials.…”

Section: Introductionmentioning

confidence: 99%

Low and ultralow RI materials

Chacko,

Murphy,

Woelk

et al. 2023

Optifab 2023

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Low and ultralow RI materials

Chacko,

Murphy,

Woelk

et al. 2023

Optifab 2023

View full text Add to dashboard Cite

Revealing the structural and optical constant of the UiO-66 coated with MoS2 QDs

Aboraia,

Alraddadi,

Saad

et al. 2024

Opt Quant Electron

View full text Add to dashboard Cite

Resonance Raman intensity analysis of photoactive metal-organic frameworks

Brennan,

Choi,

Soilis

et al. 2024

The Journal of Chemical Physics

View full text Add to dashboard Cite

Metal-organic frameworks (MOFs) are promising candidate materials for photo-driven processes. Their crystalline and tunable structure makes them well-suited for placing photoactive molecules at controlled distances and orientations that support processes such as light harvesting and photocatalysis. In order to optimize their performance, it is important to understand how these molecules evolve shortly after photoexcitation. Here, we use resonance Raman intensity analysis (RRIA) to quantify the excited state nuclear distortions of four modified UiO-68 MOFs. We find that stretching vibrations localized on the central ring within the terphenyl linker are most distorted upon interaction with light. We use a combined computational and experimental approach to create a picture of the early excited state structure of the MOFs upon photoactivation. Overall, we show that RRIA is an effective method to probe the excited state structure of photoactive MOFs and can guide the synthesis and optimization of photoactive designs.

show abstract

Fragment-based approach for the efficient calculation of the refractive index of metal–organic frameworks

Abstract: Increasing demands on materials in the field of optical applications require novel materials. Metal-organic frameworks (MOFs) are a prominent class of hybrid inorganic-organic materials with a modular layout. This allows...

Cited by 3 publications

References 96 publications

Low and ultralow RI materials

Low and ultralow RI materials

Revealing the structural and optical constant of the UiO-66 coated with MoS2 QDs

Resonance Raman intensity analysis of photoactive metal-organic frameworks

Contact Info

Product

Resources

About