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How metallylenes activate small molecules
We have studied the activation of dihydrogen by metallylenes using relativistic density functional theory (DFT). Our detailed activation strain and Kohn–Sham molecular orbital analyses have quantified the physical factors behind the decreased reactivity of the metallylene on going down Group 14, fro...
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| 發表在: | Chem Sci |
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| Main Authors: | , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
The Royal Society of Chemistry
2021
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8179460/ https://ncbi.nlm.nih.gov/pubmed/34163718 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc05987k |
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