Optical properties of light-emitting nematic liquid crystals: A joint experimental and theoretical study

O�Neill, Mary; Cornil, Jerome; Liedtke, Alicia; O'Neill, Mary; Kelly, Stephen M.; Kitney, Stuart P.; van Averbeke, Bernard; Boudard, Pol; Beljonne, David; Cornil, J�r�me; Cornil, Je?ro?me

Abstract

Semiempirical quantum-chemical calculations are used to simulate the optical properties of a series of green light-emitting nematic liquid crystals containing fluorene, thiophene, or thienothiophene groups with solid-state photoluminescence quantum efficiencies up to 0.36. We use a simple model of two parallel and closely spaced molecules in an anticofacial configuration to study intermolecular interactions in the solid state and slide one past the other to mimic the high orientational and low positional order of the nematic phase. We find that switching between H and J aggregates can be triggered by longitudinal displacements of the molecules with respect to one another by an extent that closely follows the chemical structure of the interacting chromophores. We discuss the implications of aggregate formation for efficient light emission in conjugated oligomers and polymers that show nematic or smectic order. © 2010 American Chemical Society.

Citation

Liedtke, A., O'Neill, M., Kelly, S. M., Kitney, S. P., van Averbeke, B., Boudard, P., Beljonne, D., & Cornil, J. (2010). Optical properties of light-emitting nematic liquid crystals: A joint experimental and theoretical study. Journal of Physical Chemistry B, 114(37), 11975-11982. https://doi.org/10.1021/jp104280w

• Journal Article Type: Article
• Acceptance Date: Jun 22, 2010
• Online Publication Date: Aug 31, 2010
• Publication Date: Sep 23, 2010
• Deposit Date: Nov 13, 2014
• Journal: Journal Of Physical Chemistry B
• Print ISSN: 1520-6106
• Publisher: American Chemical Society
• Peer Reviewed: Peer Reviewed
• Volume: 114
• Issue: 37
• Pages: 11975-11982
• DOI: https://doi.org/10.1021/jp104280w
• Keywords: differential-overlap technique, field-effect transistors, organic electroluminescence, conjugated oligomers, polymer networks, polarized electroluminescence, interchain interactions, intermediate neglect charge-transport exciton model, liquid crystals, RE
• Public URL: https://hull-repository.worktribe.com/output/462071
• Contract Date: Nov 13, 2014