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Substituent Effects on the Stability of Thallium and Phosphorus Triple Bonds: A Density Functional Study
Three computational methods (M06-2X/Def2-TZVP, B3PW91/Def2-TZVP and B3LYP/LANL2DZ+dp) were used to study the effect of substitution on the potential energy surfaces of RTl≡PR (R = F, OH, H, CH(3), SiH(3), SiMe(SitBu(3))(2), SiiPrDis(2), Tbt (=C(6)H(2)-2,4,6-(CH(SiMe(3))(2))(3)), and Ar* (=C(6)H(3)-2...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152323/ https://www.ncbi.nlm.nih.gov/pubmed/28678196 http://dx.doi.org/10.3390/molecules22071111 |