Chalcogen–Nitrogen Secondary Bonding Interactions in the Gas Phase – Spectrometric Detection of Ionized Benzo‐2,1,3‐telluradiazole Dimers

AbstractThe mass spectra of benzo‐2,1,3‐chalcogenadiazoles, acquired from the equilibrium conditions of the UV‐laser desorption/ionization plume, contain isotopic patterns that are characteristic of protonated and ionized dimers. Dispersion‐corrected DFT modeling shows that the most stable structures of these dimers feature the supramolecular four‐membered Te2N2 ring, which is pervasive in the crystal structures of these compounds. These observations provide the first evidence of the persistence of Te–N supramolecular association in the gas phase.

Chalcogen–Nitrogen Secondary Bonding Interactions in the Gas Phase – Spectrometric Detection of Ionized Benzo‐2,1,3‐telluradiazole Dimers Journal Articles