Hydrogen Tunneling in Protonolysis of Platinum(II) and Palladium(II) Methyl Complexes: Mechanistic Implications

Bercaw, John E.; Chen, George S.; Labinger, Jay A.; Lin, Bo‐Lin

doi:10.1021/ja807427d

Cited by 57 publications

(69 citation statements)

References 38 publications

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“…[217] Theprotonolysis of palladium and platinum complexes and the reductive elimination of methane from agold complex have also been shown to have as ignificant tunneling contribution. [218][219][220][221] Tu nneling Scheme 3. Quadruple proton transfer in calix [4]arenes.…”

Section: Catalysismentioning

confidence: 99%

Atom Tunneling in Chemistry

2016

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Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom tunneling can be indirectly detected by temperature-independent rate constants at low temperature or by enhanced kinetic isotope effects. In contrast, the influence of tunneling on the reaction rates can be monitored directly through computational investigations. The tunnel effect, for example, changes reaction paths and branching ratios, enables chemical reactions in an astrochemical environment that would be impossible by thermal transition, and influences biochemical processes.

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Section: Catalysismentioning

confidence: 99%

Atom Tunneling in Chemistry

2016

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“…The temperature dependence of the KIE can determine the presence or absence of tunneling too [49,50]. Usually, unambiguously the involvement of tunneling always is generally demonstrated by values for the Arrhenius (1) and (2 [51,52]. The values in Figure 6 and Supporting Information (Table S2) indicate a significant tunneling pathway in reactions (1) and (2) at low temperatures such as 100 and 150 K.…”

Section: The H/d Kinetic Isotope Effects and Hydrogen Tunneling In Rementioning

confidence: 90%

The proton‐coupled proton transfer mechanism, H₂O catalysis, and hydrogen tunneling effects in the reaction of HNCH₂ with HCOOH in the interstellar medium

Deng

et al. 2010

Int J of Quantum Chemistry

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ABSTRACT:The reaction HNCH 2 ϩ HCOOH 3 H 2 NCH 2 COOH is supposed to be an important reaction related to the possible origin of amino acids on the early Earth. We find that it has an energy barrier of 87.37 kcal mol Ϫ1 obtained with MP2/6-311ϩG** in the gas phase, but it is likely enhanced to occur in the interstellar medium (ISM) through a protoncoupled proton transfer reaction, initiated by HNCH 2 coupled with H 2

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“…Analysis of room temperature tunneling events in organic transformations will probably develop in the coming years, as a result of the awareness of the scientific community. It might also be taking place in many transition-metal-catalyzed reactions, at least those involving metal-hydride intermediates (hydrogenations, CÀH activations), [11] and thus will have profound consequences on catalyst design and optimization.…”

Section: Angewandte Highlightsmentioning

confidence: 99%

Atom Tunneling in Organic Transformations

Patureau

2012

Angew Chem Int Ed

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Hydrogen Tunneling in Protonolysis of Platinum(II) and Palladium(II) Methyl Complexes: Mechanistic Implications

Cited by 57 publications

References 38 publications

Atom Tunneling in Chemistry

Atom Tunneling in Chemistry

The proton‐coupled proton transfer mechanism, H₂O catalysis, and hydrogen tunneling effects in the reaction of HNCH₂ with HCOOH in the interstellar medium

Atom Tunneling in Organic Transformations

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Hydrogen Tunneling in Protonolysis of Platinum(II) and Palladium(II) Methyl Complexes: Mechanistic Implications

Cited by 57 publications

References 38 publications

Atom Tunneling in Chemistry

Atom Tunneling in Chemistry

The proton‐coupled proton transfer mechanism, H2O catalysis, and hydrogen tunneling effects in the reaction of HNCH2 with HCOOH in the interstellar medium

Atom Tunneling in Organic Transformations

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The proton‐coupled proton transfer mechanism, H₂O catalysis, and hydrogen tunneling effects in the reaction of HNCH₂ with HCOOH in the interstellar medium