The S … Hal and Se … Hal chalcogen bonding in a series of thiourea, selenourea and their derivatives
Year of publication
2021
Authors
Chernysheva, Maria V.; Haukka, Matti
Abstract
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.
Show moreOrganizations and authors
Publication type
Publication format
Article
Parent publication type
Journal
Article type
Original article
Audience
ScientificPeer-reviewed
Peer-ReviewedMINEDU's publication type classification code
A1 Journal article (refereed), original researchPublication channel information
Journal
Publisher
Volume
293
Article number
121759
ISSN
Publication forum
Publication forum level
1
Open access
Open access in the publisher’s service
No
Self-archived
Yes
Other information
Fields of science
Chemical sciences
Keywords
[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Publication country
Netherlands
Internationality of the publisher
International
Language
English
International co-publication
No
Co-publication with a company
No
DOI
10.1016/j.jssc.2020.121759
The publication is included in the Ministry of Education and Culture’s Publication data collection
Yes