Supramolecular self-assembled network formation containing N···Br halogen bonds in physisorbed overlayers.
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Abstract
The formation of a halogen bonded self-assembled co-crystal physisorbed monolayer containing N···Br 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 N···Br 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.
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Keywords
0306 Physical Chemistry (incl. Structural)
Journal Title
Phys Chem Chem Phys
Conference Name
Journal ISSN
1463-9076
1463-9084
1463-9084
Volume Title
16
Publisher
Royal Society of Chemistry (RSC)
Publisher DOI
Sponsorship
Engineering and Physical Sciences Research Council (EP/J001643/1)
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.