Syntheses and Structures of Two Dimethyl Diselenide–Diiodine Adducts and the First Well Characterized Diorgano Disulfide–Nitrosonium Adduct

Abstract

Abstract 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 R 2 S 2 (R = Me, Et, neo ‐Pent, H, CN, CF 3 , 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 (π*).