Avoided spin coupling: An unexpected σ-σ Diradical in global planar pentacoordinate carbon
Chemical Communications, ISSN: 1364-548X, Vol: 56, Issue: 53, Page: 7285-7288
2020
- 15Citations
- 14Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Metrics Details
- Citations15
- Citation Indexes15
- CrossRef15
- 13
- Captures14
- Readers14
- 14
Article Description
We present a global planar pentacoordinate carbon (ppC) featuring a hitherto unreported σ-σ diradical characteristic. Using the multi-reference approach combined with the CCSD(T)/aug-cc-pVTZ method, the ppC C3Li3- was found to be an intriguing triplet ground state, in which the unpaired density is mostly located at three Li ligands. Chemical bonding analysis reveals that the 2pz π electrons of C3Li3- are fully located at the C3 ring formed by C-C multiple bonds, in contrast to the perfect 2pz π-delocalization found in the well-known ppCs.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85087528974&origin=inward; http://dx.doi.org/10.1039/d0cc02236e; http://www.ncbi.nlm.nih.gov/pubmed/32478342; https://xlink.rsc.org/?DOI=D0CC02236E; https://dx.doi.org/10.1039/d0cc02236e; https://pubs.rsc.org/en/content/articlelanding/2020/cc/d0cc02236e
Royal Society of Chemistry (RSC)
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