Supramolecular self-assembled network formation containing NBr halogen bonds in physisorbed overlayers
Brewer, Adam Y
Parker, Julia E
Physical Chemistry Chemical Physics
Royal Society of Chemistry
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Brewer, A. Y., Sacchi, M., Parker, J. E., Truscott, C., Jenkins, S., & Clarke, S. (2014). Supramolecular self-assembled network formation containing NBr halogen bonds in physisorbed overlayers. Physical Chemistry Chemical Physics, 16 19608-19617. https://doi.org/10.1039/C4CP03379E
The formation of a halogen bonded self-assembled co-crystal physisorbed monolayer containing NBr interactions is reported for the first time. The co-crystal monolayer is identified experimentally by synchrotron X-ray diffraction and the structure determined. Density functional theory (DFT) calculations are also employed to assess the magnitudes of the different interactions in the layer. Significantly, compared to other halogen bonds in physisorbed monolayers we have reported recently, the NBr bond here is found to be non-linear. It is proposed that the increasing importance of the lateral hydrogen bond interactions, relative to the halogen bond strength, leads to the bending of the halogen bonds.
We acknowledge financial support for AB from EPSRC DTA award from the Department of Chemistry, University of Cambridge. We acknowledge Diamond Light Source for time on beamline I11 under proposals EE6511 and EE7761.
External DOI: https://doi.org/10.1039/C4CP03379E
This record's URL: https://www.repository.cam.ac.uk/handle/1810/245738
Attribution 2.0 UK: England & Wales
Licence URL: http://creativecommons.org/licenses/by/2.0/uk/