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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Detalles Bibliográficos
Autores principales: Sacchi, Marco, Brewer, Adam Y., Jenkins, Stephen J., Parker, Julia E., Friščić, Tomislav, Clarke, Stuart M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3968856/
https://www.ncbi.nlm.nih.gov/pubmed/24215390
http://dx.doi.org/10.1021/la402910a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3968856/
https://www.ncbi.nlm.nih.gov/pubmed/24215390
http://dx.doi.org/10.1021/la402910a

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