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Triple-Bonded Boron≡Phosphorus Molecule: Is That Possible?
[Image: see text] The effect of substitution on the potential energy surfaces of RB≡PR (R = H, F, OH, SiH(3), and CH(3)) is studied using density functional theories (M06-2X/Def2-TZVP, B3PW91/Def2-TZVP, and B3LYP/LANL2DZ+dp). There is significant theoretical evidence that RB≡PR compounds with smalle...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641486/ https://www.ncbi.nlm.nih.gov/pubmed/31457879 http://dx.doi.org/10.1021/acsomega.7b01480 |