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- W3115875616 abstract "Synthesis and structural characterization of binary co-crystals 1–4 is reported in the present paper. Selenourea and 1,1-dimethylselenourea were used as selenium-containing halogen bond (XB) acceptors and iodopentafluorobenzene (IPFB), 1,4-diiodotetrafluorobenzene (1,4-DIFB) and 1,4-dibromotetrafluorobenzene (1,4-DBrFB) as XB donors. A comparative analysis of the similar binary co-crystals of selenourea and thiourea with a halogen donor revealed that Se … Hal halogen bonds are up to 13.12% shorter than the sum of vdW radii, while in case of S … Hal halogen bonds this value is 11.4%. Therefore, selenium tends to form stronger bonds with halogens than sulfur does. Comparisons of XB interaction energies, Hirschfeld and QTAIM analyses of the Se and S systems supported this observation that selenium based XB acceptor results in slightly stronger Ch⋅⋅⋅Hal halogen bonding." @default.
- W3115875616 created "2021-01-05" @default.
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- W3115875616 date "2021-03-01" @default.
- W3115875616 modified "2023-10-18" @default.
- W3115875616 title "The Se … Hal halogen bonding: Co-crystals of selenoureas with fluorinated organohalides" @default.
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- W3115875616 doi "https://doi.org/10.1016/j.jssc.2020.121930" @default.
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