Thiozonation and thiozonolysis of triatomic sulfur (S3) on the C70 fullerene: a DFT study
Sign Up to like & getrecommendations! Published in 2018 at "Structural Chemistry"
DOI: 10.1007/s11224-018-1111-7
Abstract: Density functional theory calculations have been carried out to investigate the [2 + x] x = 1, 2, and 3 cycloaddition reactions (paths A, B, and C) of triatomic sulfur (S3) with the C70 fullerene in terms of geometry,… read more here.
Keywords: triatomic sulfur; hexagon; c70 fullerene; thiozonation ... See more keywords
Computational investigations of 18-electron triatomic sulfur–nitrogen anions
Sign Up to like & getrecommendations! Published in 2018 at "Canadian Journal of Chemistry"
DOI: 10.1139/cjc-2018-0047
Abstract: MRCI-SD/def2-QZVP and PBE0/def2-QZVP calculations have been employed for the analysis of geometries, stabilities, and bonding of isomers of the 18-electron anions N2S2−, NS2−, and NSO−. Isomers of the isoelectronic neutral molecules SO2, S2O, S3, and… read more here.
Keywords: triatomic sulfur; electron triatomic; sulfur nitrogen; investigations electron ... See more keywords