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2D Supramolecular self-assembled network formation containing N⋯Br halogen bonds in physisorbed overlayers

DOI: 10.1039/C4CP03379E DOI Help

Authors: Adam Brewer (University of Cambridge) , Marco Sacchi (Department of Chemistry, University of Cambridge) , Julia Parker (Diamond Light Source) , Christopher Truscott (University of Cambridge) , Stephen J. Jenkins (Department of Chemistry, University of Cambridge) , Stuart Clarke (University of Cambridge)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Chemistry Chemical Physics , VOL 16 (36) , PAGES 7419-7425

State: Published (Approved)
Published: August 2014
Diamond Proposal Number(s): 6511 , 7761

Abstract: The formation of a halogen bonded self-assembled co-crystal physisorbed monolayer containing N[cdots, three dots, centered]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[cdots, three dots, centered]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.

Subject Areas: Chemistry

Instruments: I11-High Resolution Powder Diffraction

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