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Computational Evaluation of Me(2)TCCP as Lewis Acid
Supramolecular adducts between dimethyl‐2,2,3,3‐tetracyanocyclopropane (Me(2)TCCP) with 21 small (polar) molecules and 10 anions were computed with DFT (B3LYP‐D3/def2‐TZVP). Their optimized geometries were used to obtain interaction energies, and perform energy decomposition and ‘atoms‐in‐molecules’...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8596889/ https://www.ncbi.nlm.nih.gov/pubmed/34318574 http://dx.doi.org/10.1002/cphc.202100426 |