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A Selenium‐Nitrogen Chain with Selenium in Different Oxidation States |
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| Authors: | Aino J Karhu Juho Jämsä J Mikko Rautiainen Raija Oilunkaniemi Tristram Chivers Risto S Laitinen |
| Affiliation: | 1. Laboratory of Inorganic Chemistry, Environmental and Chemical Engineering, University of Oulu, Oulu, Finland;2. Department of Chemistry, University of Jyv?skyl?, Jyv?skyl?, Finland;3. Department of Chemistry, University of Calgary, Calgary, Alberta, Canada |
| Abstract: | The reaction of tBuNH2 with a mixture of SeCl2 and SeOCl2 in a 6:2:1 molar ratio produces the novel selenium‐nitrogen chain ClSeN(tBu)Se(O)Cl ( 4 ), in which the selenium atoms are in two different oxidation states, SeII and SeIV. The crystal structure of 4 is compared with that of the related SeII/SeII system ClSeN(tBu)SeCl ( 1 ) and differences are attributed to hyperconjugative effects. The energetics of the formation of 4 via two different routes are elucidated by PBE0/def2‐TZVPP calculations. |
| Keywords: | Selenium(II) Selenium(IV) Acyclic compound Crystal structure Hyperconjugation Energy profiles |
