A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
The S … Hal and Se … Hal chalcogen bonding in a series of thiourea, selenourea and their derivatives (2021)


Chernysheva, Maria V.; Haukka, Matti (2021). The S … Hal and Se … Hal chalcogen bonding in a series of thiourea, selenourea and their derivatives. Journal of Solid State Chemistry, 293, 121759. DOI: 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: http://doi.org/10.1016/j.jssc.2020.121759

Avoin saatavuus: Julkaisukanava ei ole avoin

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


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OKM-raportointi: Kyllä

Alustava JUFO-taso: 1


Viimeisin päivitys 2020-19-10 klo 11:28