Aggregation and Significant Difference in Reactivity Therein: Blocking the CO2-to-CH3OH Reaction
Xiaoyu Chen; Dongli Wei; Mårten S. G. Ahlquist · 2021 · Organometallics
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
The study found no significant effect — useful as a negative control or null benchmark for your own design.
Abstract
A CoPc/CNT system has been only recently reported to transform CO2 to methanol via electrochemical reductions, despite the fact that catalyst has been studied extensively since the 1980s. The explanation of high methanol selectivity lies behind the fact that in the new report CoPc exists mainly as a monomer, while in earlier works aggregates dominate. Here, we have studied the reactivity of monomeric and dimeric CoPc by DFT. The mechanism involves rate-limiting CO2 association, with the C–O cleavage step having very similar activation free energy. Once the Co–CO– intermediate is formed, the re
Abstract by Xiaoyu Chen; Dongli Wei; Mårten S. G. Ahlquist, Organometallics (2021) — licensed CC BY 4.0.
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Metadata source: OpenAlex · DOI 10.1021/acs.organomet.1c00431