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dc.creatorMatsika, Spiridoulaen_US
dc.creatorPitzer, Russell M.en_US
dc.date.accessioned2006-06-15T19:02:20Z
dc.date.available2006-06-15T19:02:20Z
dc.date.issued1998en_US
dc.identifier1998-RB-04en_US
dc.identifier.urihttp://hdl.handle.net/1811/18866
dc.descriptionAuthor Institution: Department of Chemistry, The Ohio State Universityen_US
dc.description.abstractThe electronic spectrum of the neptunyl ion, $NpO^{2+}_{2}$, has been calculated using relativistic spin-orbit configuration-interaction calculations. Neptunium in $NpO^{2+}_{2}$ is in oxidation state VI and has an $f^{1}$ configuration. In the lower energies lie the $f \to f$ transitions while at energies above $20000 cm^{-1}$ charge transfer transitions occur. The ground state is $a^{2}\Delta$ state with $\Omega = 3/2$. Equilibrium distances and vibrational frequencies for the symmetric stretch in the ground state are obtained and compared with experimental work.en_US
dc.format.extent71494 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleTHE ELECTRONIC SPECTRUM OF THE NEPTUNYL $ION, NpO^{2+}_{2}$en_US
dc.typearticleen_US


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