| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5416476 | Journal of Molecular Structure: THEOCHEM | 2009 | 4 Pages |
Abstract
The bifurcate S(SS)â¯Y (Y = Fâ, Clâ, Brâ, N or O) interactions have been investigated theoretically at the MP2/aug-cc-pVDZ theory level. The strength of the strongest bifurcate chalcogen bond studied was found to be about 35 kcal/mol, larger than that of any known halogen bond. Employing the natural bond orbital analysis, the nature of the bond-length change and the corresponding spectral shift upon bifurcate chalcogen bond formation was also studied.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yu Zhang, Weizhou Wang,