%0 Journal Article
%T Spectroscopic Evaluation of the Molecular Structures of di-¦Ì-Chlorobis(1,5-Cyclooctadiene)  Iridium (I) and Rhodium (I) Complexes
%A Saheed A. Popoola
%A Abdulaziz A. Al-Saadi
%J Journal of Applied Mathematics and Physics
%P 140-144
%@ 2327-4379
%D 2015
%I Scientific Research Publishing
%R 10.4236/jamp.2015.32021
%X <p class=\"MsoNormal\">
	<span lang=\"EN-US\">Vibrational and H-NMR
spectroscopic studies on di-¦Ì-chlorobis(1,5-cyclooctadiene) of iridium(I) and
rhodium (I) complexes have been carried out. In addition, the two D<sub>2h</sub> and D<sub>2</sub> structures for both complexes have been fully optimized. It was expected from
the single-molecule vapor-phase density functional theory (DFT) calculation
that the D<sub>2</sub> structure is more stable by 5 - 6 kcal/mol. While spectroscopic
analysis study confirms that in the solid phase, the two complexes retain the
higher D<sub>2h</sub> symmetry. The vibrational wavenumbers of certain modes associated to
free 1,5-cyc- looctadiene were observed to be shifted to lower values upon
coordination with rhodium or iridium metals. It was also found theoretically
that the metal-olefin interaction is slightly more pronounced for iridium
metal.&nbsp;</span>
</p>
%K 1
%K 5-Cyclooctadiene
%K DFT Calculations
%K Iridium and Rhodium Binuclear Complexes
%K Infrared and Raman Spectra
%U http://www.scirp.org/journal/PaperInformation.aspx?PaperID=53660