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...

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Detalles Bibliográficos
Autores principales: Lu, Jia-Syun, Yang, Ming-Chung, Su, Ming-Der
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152323/
https://www.ncbi.nlm.nih.gov/pubmed/28678196
http://dx.doi.org/10.3390/molecules22071111

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