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RESEARCH PRODUCT
The S … Hal and Se … Hal chalcogen bonding in a series of thiourea, selenourea and their derivatives
Matti HaukkaMaria V. Chernyshevasubject
kemiaSelenoureachemistry.chemical_element02 engineering and technologyCrystal structure010402 general chemistry01 natural sciencesInorganic Chemistryjodichemistry.chemical_compoundChalcogenkemialliset sidoksetklooriPolymer chemistryMaterials ChemistryChlorinechalcogen bondingbromiPhysical and Theoretical ChemistryselenoureathioureaBrominehalogeenitChemistry021001 nanoscience & nanotechnologyCondensed Matter Physicshalogen0104 chemical sciencesElectronic Optical and Magnetic MaterialsMonomerThioureaHalogenCeramics and Composites0210 nano-technologydescription
The chalcogen bonding (ChB) in a series of thiourea, selenourea and their derivatives has been investigated in the present paper. Thus, selenourea and dimethylselenourea undergo dimerization and trimerization processes in the presence of various halogen species (1–5). Selenourea and dimethylselenourea form trimers 3–4 in the presence of lighter halogens (chlorine and bromine) through Se⋯Se chalcogen bonding. When moving to heavier halogen (iodine), the dimers 1–2 are formed. Thiourea and its derivatives also tend to make very strong S⋯S bonds and form dimers in the case of lighter halogens chlorine and bromine (compounds 6–7). However, the monomers separated by the iodine species are formed upon interaction with iodine via very strong S⋯I bonding (compounds 9–12). Furthermore, among all the crystal structures of 1–12, only iodine cations I+ in 10 and 12 act as electron density acceptors, while in the remaining compounds 1–9 and 11 halogen species act as electron density donors. peerReviewed
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2021-01-01 |