DFT/TD-DFT analysis of structural, electrochemical and optical data from mononuclear osmium and heterobinuclear osmium-ruthenium alkynyl complexes
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Kulasekera, Erandi; Petrie, Simon; Stranger, Robert; Cifuentes, Marie; Humphrey, Mark
Description
Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations of the molecular structures, optical absorption spectra, and spectroelectrochemical behavior of the complexes trans-[Os(CCC6H 4-4-CCH)Cl(dppe)2] (1), trans,trans-[(dppe) 2ClOs(CC
| Collections | ANU Research Publications |
|---|---|
| Date published: | 2013 |
| Type: | Journal article |
| URI: | http://hdl.handle.net/1885/62529 |
| Source: | Journal of Organometallic Chemistry |
| DOI: | 10.1016/j.jorganchem.2013.07.010 |
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| File | Description | Size | Format | Image |
|---|---|---|---|---|
| 01_Kulasekera_DFT/TD-DFT_analysis_of_2013.pdf | 1.54 MB | Adobe PDF | Request a copy |
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