Catalyst-free CO hydrogenation with BHNH in water: DFT mechanistic insights
Physical Chemistry Chemical Physics, ISSN: 1463-9076, Vol: 24, Issue: 23, Page: 14159-14164
2022
- 2Citations
- 3Captures
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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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Article Description
Extensive DFT calculations show that BHNH may transfer dihydrogen as separated hydride and proton to CO rather than HCO in water over a barrier of 25.9 kcal mol, followed by faster hydride transfer from borate anions to either electrophilic CO or protic HO or HCOH, leading to competitive formate production and H release.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85131855438&origin=inward; http://dx.doi.org/10.1039/d2cp00590e; http://www.ncbi.nlm.nih.gov/pubmed/35662299; https://xlink.rsc.org/?DOI=D2CP00590E; https://dx.doi.org/10.1039/d2cp00590e; https://pubs.rsc.org/en/content/articlelanding/2022/cp/d2cp00590e
Royal Society of Chemistry (RSC)
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