Long-Lived Charge Transfer Excited States in HBC-Polypyridyl Complex Hybrids

Anastasia B.S. Elliott, Raphael Horvath, Xue Zhong Sun, Michael G. Gardiner, Klaus Müllen, Nigel T. Lucas, Michael W. George, Keith C. Gordon

Research output: Journal PublicationArticlepeer-review

17 Citations (Scopus)


The synthesis of two bipyridine-hexa-peri-hexabenzocoronene (bpy-HBC) ligands functionalized with either tBu or C12H25 and their Re(I) tricarbonyl chloride complexes are reported and their electronic properties investigated using spectroscopic and computational methods. The metal complexes show unusual properties, and we observed the formation of a long-lived excited state using time-resolved infrared spectroscopy. Depending on the solvent, this appears to be of the form Rebpy•-HBC•+ or a bpy-centered π,π∗ state. TD-DFT calculations support the donor-acceptor charge transfer character of these systems, in which HBC is the donor and bpy is the acceptor. The ground state optical properties are dominated by the HBC chromophore with additional distinct transitions of the complexes, one associated with MLCT 450 nm (ϵ > 17"000 L mol-1 cm-1) and another with a HBC/metal to bpy charge transfer, termed the MLLCT band (373 nm, ϵ = 66"000 L mol-1 cm-1). These assignments are also supported by resonance Raman spectroscopy.

Original languageEnglish
Pages (from-to)4710-4719
Number of pages10
JournalInorganic Chemistry
Issue number10
Publication statusPublished - 16 May 2016

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


Dive into the research topics of 'Long-Lived Charge Transfer Excited States in HBC-Polypyridyl Complex Hybrids'. Together they form a unique fingerprint.

Cite this