CO<sub>2</sub> Chemistry

Müller, Tobias; Leitner, Walter

doi:10.3762/bjoc.11.76

Cited by 14 publications

(4 citation statements)

References 13 publications

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“…Strategies for the fixation of carbon dioxide (CO 2 ) as an easily accessible, inexpensive, naturally abundant, and renewable C1 source towards valuable commodity chemicals 1,2 have attracted major topical interest. 3 While significant progress has been witnessed in the chemical use of CO 2 during the recent decade, [4][5][6][7][8][9][10][11][12][13][14] the vast majority of these procedures require pre-functionalized substrates, such as aryl halides or aryl boronic acids.…”

Section: Introductionmentioning

confidence: 99%

C–H carboxylation of heteroarenes with ambient CO₂

Fenner

Ackermann

2016

Green Chem.

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Section: Introductionmentioning

confidence: 99%

C–H carboxylation of heteroarenes with ambient CO₂

Fenner

Ackermann

2016

Green Chem.

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“…This increases the global average temperature, which is very dangerous and harmful to the environment. Although carbon dioxide is an inert gas, it is abundant, inexpensive, and a nontoxic renewable resource of energy as well as a source of carbon . Therefore, if a portion of carbon dioxide can be activated and made to interact with other scaffolds, this helps not only to consume a portion of carbon dioxide in the atmosphere but also to convert it into valuable chemicals and fuels, which are important for sustainable development.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Study on the Formation of 2-Pyrone Derivatives from the Reaction of Alkynes with Carbon Dioxide in the Presence of Nickel Catalyst

Dahy

Koga

2023

Organometallics

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The formation of 2-pyrone derivatives by the reaction of CO 2 with a model internal alkyne, 2-butyne, in the presence of (cod) 2 Ni and a bisphosphine ligand (dppb), was studied using the M06/6-311G(d,p) density functional theory method, which revealed that the reaction takes place in three stages. The first stage is the formation of the 2-butyne complex intermediate (dppb)Ni(η 2 -MeC�CMe). There are several pathways for the formation of 2pyrone complexes from it, and the more favorable two pathways were found among them. In the second stage, the coupling of (dppb)Ni(η 2 -MeC�CMe) with 2-butyne or CO 2 produces nickelacyclopentadiene or oxanickelacyclopentenone with the Ni−O bond, respectively. In the third stage, the reaction of CO 2 with nickelacyclopentadiene or that of 2-butyne with oxanickelacyclopentenone produces 2-pyrone Ni complexes. The rate-limiting step is the second, in which nickelacyclopentadiene or oxanickelacyclopentenone is formed. The formation of oxanickelacyclopentenone with the Ni−O bond is kinetically more favorable, while the formation of nickelacyclopentadiene is thermodynamically more favorable. Thus, depending on the experimental conditions, the two pathways are in competition. This supports the mechanisms suggested by Inoue et al. and Hoberg et al., and we discuss the factors that make these mechanisms more favorable.

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“…1–3 On the other hand, CO 2 is a non-toxic and sustainable C 1 source to achieve valuable compounds. 4–44 However, CO 2 is a thermodynamically stable and kinetically inert triatomic molecule that exists as the main greenhouse gas at ambient temperature and pressure. 45,46 Therefore, activation of CO 2 requires either energy-intensive procedures or reductants and selective catalysts.…”

Section: Introductionmentioning

confidence: 99%