Skip navigation
Skip navigation

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

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

CollectionsANU 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

Download

File Description SizeFormat Image
01_Kulasekera_DFT/TD-DFT_analysis_of_2013.pdf1.54 MBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  12 November 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator