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Comparison for Electron Donor Capability of Carbon-Bound Halogens in Tetrel Bonds
[Image: see text] The tetrel bond formed by HC≡CX, H(2)C=CHX, and H(3)CCH(2)X (X=F, Cl, Br, I) as an electron donor and TH(3)F (T=C, Si, Ge) was explored by ab initio calculations. The tetrel bond formed by H(3)CCH(2)X is the strongest, as high as −3.45 kcal/mol for the H(3)CCH(2)F···GeH(3)F dimer,...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8567400/ https://www.ncbi.nlm.nih.gov/pubmed/34746592 http://dx.doi.org/10.1021/acsomega.1c04085 |