ArticleMolecular physics2021
2D constraint modifies packing behaviour: a halobenzene monolayer with X
Article in Molecular physics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
3 citing papers in PubMed.
- Nanoscale motion of organic π-conjugated molecules: exploring van der Waals forces, friction, and quantum effects.Nanoscale horizons · 2025Review
- In Situ Synthesis of Ni-BTC Metal-Organic Framework@Graphene Oxide Composites for High-Performance Supercapacitor Electrodes.ACS omega · 2023Article
- How does tuning the van der Waals bonding strength affect adsorbate structure?Physical chemistry chemical physics : PCCP · 2022Article
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Authors and funding
4 authors.
Funding
Abstract
Using a combination of X-ray diffraction and simulation techniques, we are able to identify a crystalline monolayer of 1,3,5-triiodotrifluorobenzene formed on graphite. The monolayer is found to exhibit an incommensurate hexagonal unit cell with a lattice parameter of 9.28(7) Å, exhibiting a trigonal arrangement of iodine atoms not found in the bulk structure. DFT simulations have been performed exhibiting close agreement with the experimental structure. Importantly these simulations can be used to compare the strength of the intermolecular interactions both with and without Van der Waals corrections. Thus it is possible to estimate that halogen bonding consists of approximately half the total interaction energy. This demonstrates that despite the presence of strong directional non-covalent bonding, dispersion interactions account for a very significant proportion of the total energy.
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