Heterovalent chalcogen bonding: supramolecular assembly driven by the occurrence of a tellurium(ii)⋯Ch(i) (Ch = S, Se, Te) linkage

Abstract

The dichalcogenides Ph2Ch2 (Ch = S, Se, Te) were cocrystallized with the perfluorinated chalcogen bond donors TolF2Te and PyF2Te (TolF = 4-CF3C6F4, PyF = 4-NC5F4) to give the 1:1 cocrystals...

A new look at the chalcogen bond: π-hole-based chalcogen (Se, Te) bonding which does not include a σ-hole interaction

“…Secondly, a detailed theoretical study of the Ch⋯Pt II noncovalent forces in co-crystals of the platinum( ii ) complexes and ChDAs allowed the recognition of a π-hole co-existing with σ-hole(s) on the same Ch site, thus forming a unified σ-/π-hole system at a chalcogen site. The fundamental difference between supramolecular arrangements of ChDAs and the previously studied 29,30 open-chain Ar F 2 Ch are noteworthy. If in the former the σ- and π-holes are located at the same Ch site (for a review on unseparated σ- and π-holes see ref.…”

“…1) as potential co-formers of noncovalent interactions. In contrast to the previously studied open-chain (perfluoroarene) 2 Ch systems, 29,30 ChDAs are aromatic species, where the Ch atom is located in the ring plane and it is flanked by two more electronegative N atoms. The overall electron-deficiency of ChDA (see section 2 for relevant theoretical calculations) is additionally provided by two powerful nitrile EWGs.…”

Chalcogen Bonds, Halogen Bonds and Halogen···Halogen Contacts in Di- and Tri-iododiorganyltellurium(IV) Derivatives

“…For calculations, we have used X-ray coordinates (see Supplementary Materials) because we are interested in evaluating and characterizing the interactions as they stand in the solid state. The level of theory used in this work (both the DFT method and basis set) has been previously used to analyze halogen-and chalcogen-bonding interactions [106][107][108][109][110][111][112] and also demonstrated that the interaction energies are comparable to those using state-of-the-art CCSD(T)/CBS calculations [16].…”

Unravelling the role of triisopropylphosphane telluride in Ag(i) complexes

“…These secondary bonding interactions originally coined by Alcock 21 have been previously identified as a chalcogen bond (ChB) and are more pronounced for heavier chalcogen atoms as tellurium. 22 It has been defined by IUPAC as net attractive interaction between an electrophilic region associated with a chalcogen atom in a molecular entity and a nucleophilic region in another. 23…”