A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
The S … Hal and Se … Hal chalcogen bonding in a series of thiourea, selenourea and their derivatives (2021)
Chernysheva, M. V., & Haukka, M. (2021). The S … Hal and Se … Hal chalcogen bonding in a series of thiourea, selenourea and their derivatives. Journal of Solid State Chemistry, 293, Article 121759. https://doi.org/10.1016/j.jssc.2020.121759
JYU-tekijät tai -toimittajat
Julkaisun tiedot
Julkaisun kaikki tekijät tai toimittajat: Chernysheva, Maria V.; Haukka, Matti
Lehti tai sarja: Journal of Solid State Chemistry
ISSN: 0022-4596
eISSN: 1095-726X
Julkaisuvuosi: 2021
Volyymi: 293
Artikkelinumero: 121759
Kustantaja: Elsevier BV
Julkaisumaa: Alankomaat
Julkaisun kieli: englanti
DOI: https://doi.org/10.1016/j.jssc.2020.121759
Julkaisun avoin saatavuus: Ei avoin
Julkaisukanavan avoin saatavuus:
Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/72236
Tiivistelmä
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.
YSO-asiasanat: kemia; halogeenit; kemialliset sidokset; kloori; jodi; bromi
Vapaat asiasanat: chalcogen bonding; halogen; selenourea; thiourea
Liittyvät organisaatiot
OKM-raportointi: Kyllä
Raportointivuosi: 2021
JUFO-taso: 1