To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?

DOI: 10.1039/C6MH00051G

Authors: Gary Conboy (University of Strathclyde) , Howard J. Spencer (University of Manchester) , Enrico Angioni (University of Strathclyde) , Alexander L. Kanibolotsky (University of Strathclyde; University of Manchester) , Neil J. Findlay (University of Strathclyde) , Simon Coles (University of Southampton) , Claire Wilson (University of Southampton) , Mateusz B. Pitak (University of Southampton) , Chad Risko (University of Southampton) , Veaceslav Coropceanu (Georgia Institute of Technology) , Jean-Luc Brédas (King Abdullah University of Science) , Peter J. Skabara (University of Strathclyde)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Materials Horizons , VOL 3 , PAGES 333 - 339

State: Published (Approved)
Published: April 2016
Diamond Proposal Number(s): 8521

Abstract: We consider the roles of heteroatoms (mainly nitrogen, the halogens and the chalcogens) in dictating the conformation of linear conjugated molecules and polymers through non-covalent intramolecular interactions. Whilst hydrogen bonding is a competitive and sometimes more influential interaction, we provide unambiguous evidence that heteroatoms are able to determine the conformation of such materials with reasonable predictability.

Diamond Keywords: Semiconductors

Subject Areas: Chemistry, Materials


Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 14/09/2016 14:15

Documents:
c6mh00051g.pdf

Discipline Tags:

Physical Chemistry Chemistry Materials Science Organic Chemistry

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD)