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DFT/TD-DFT analysis of structural, electrochemical and optical data from mononuclear osmium and heterobinuclear osmium-ruthenium alkynyl complexes

Kulasekera, Erandi; Petrie, Simon; Stranger, Robert; Cifuentes, Marie; Humphrey, Mark


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

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
Source: Journal of Organometallic Chemistry
DOI: 10.1016/j.jorganchem.2013.07.010


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