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Combined Diffraction and Density Functional Theory Calculations of Halogen-Bonded Cocrystal Monolayers
[Image: see text] This work describes the combined use of synchrotron X-ray diffraction and density functional theory (DFT) calculations to understand the cocrystal formation or phase separation in 2D monolayers capable of halogen bonding. The solid monolayer structure of 1,4-diiodobenzene (DIB) has...
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| Main Authors: | , , , , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2013
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3968856/ https://ncbi.nlm.nih.gov/pubmed/24215390 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/la402910a |
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