Jump to main content
Jump to site search


1,4-azaborine as controller of triplet energy, exciton distribution, and aromaticity in [6]cycloparaphenylenes

Abstract

Cycloparaphenylenes (CPPs) have attracted the attention of researchers in various fields because of their unique properties, whereas absent in the studies and applications on host materials in optoelectronic field. We had done a lot of preliminary exploration and finally selected out 1,4-azaborine and [6]CPP as the basic building blocks to construct a series of BN-[6]CPP hybrids. BN-[6]CPPs with various triplet energies (ET =1.66−3.52 eV) could be the potential hosts in full-color phosphorescent OLEDs. DFT/TDA-DFT calculations show introducing 1,4-azaborines at different positions of the [6]CPP hoop can efficiently control delocalization (localization) of triplet excitons and T1-state aromaticity (non-aromaticity), and thus varies the triplet energy (ET). The work provides not only an efficient strategy for realizing ET controllability for CPP-based materials by chemical modification of CPP framework but also a theoretical guidance for design and prediction of novel hoop-shaped materials with high ET in organic optoelectronics field.

Back to tab navigation

Supplementary files

Publication details

The article was received on 28 May 2017, accepted on 24 Jul 2017 and first published on 25 Jul 2017


Article type: Paper
DOI: 10.1039/C7TC02336G
Citation: J. Mater. Chem. C, 2017, Accepted Manuscript
  •   Request permissions

    1,4-azaborine as controller of triplet energy, exciton distribution, and aromaticity in [6]cycloparaphenylenes

    J. Wu, Y. Kan, Z. Xue, J. Huang, P. Chen, X. Yu, Z. guo and Z. Su, J. Mater. Chem. C, 2017, Accepted Manuscript , DOI: 10.1039/C7TC02336G

Search articles by author

Spotlight

Advertisements