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


Elliott, ABS and Horvath, R and Sun, X-Z and Gardiner, MG and Mullen, K and Lucas, NT and George, MW and Gordon, KC, Long-Lived Charge Transfer Excited States in HBC-Polypyridyl Complex Hybrids, Inorganic Chemistry, 55, (10) pp. 4710-4719. ISSN 0020-1669 (2016) [Refereed Article]

Copyright Statement

© 2016 American Chemical Society

DOI: doi:10.1021/acs.inorgchem.5b02602


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.

Item Details

Item Type:Refereed Article
Keywords:electronic structure, coordination complex
Research Division:Chemical Sciences
Research Group:Inorganic chemistry
Research Field:Transition metal chemistry
Objective Division:Expanding Knowledge
Objective Group:Expanding knowledge
Objective Field:Expanding knowledge in the chemical sciences
UTAS Author:Gardiner, MG (Associate Professor Michael Gardiner)
ID Code:109104
Year Published:2016
Web of Science® Times Cited:14
Deposited By:Chemistry
Deposited On:2016-05-24
Last Modified:2017-11-02

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