Journal
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Volume -, Issue 32, Pages 4970-4977Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.201100620
Keywords
Main group elements; Density functional calculations; Iodine; Chalcogens; Diorgano dichalcogenides; Nitrosonium
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Funding
- Fonds der Chemischen Industrie
- Deutsche Forschungsgemeinschaft (DFG)
- Academy of Finland
- Finnish Ministry of Education
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The syntheses and crystal structures of two new dimethyl diselenide-iodine adducts are described as well as the synthesis and crystal structure of the first diorgano disulfide-nitrosonium adduct. The reaction of the NO+ cation with R2S2 (R = Me, Et, neo-Pent, H, CN, CF3, 4-pyridyl, 2-Prop, Ph, Ad) has been investigated theoretically with DFT. Charge transfer is the main mechanism for adduct formation. Electron density is transferred from the diorgano disulfide HOMO, which is mainly composed of sulfur lone pairs, to the NO+ cation LUMO (pi*).
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