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Literature DB >> 25697077

Predicting the reactivity of hydride donors in water: thermodynamic constants for hydrogen.

Samantha J Connelly¹, Eric S Wiedner, Aaron M Appel.

Abstract

The chemical reactivity of hydride complexes can be predicted using bond strengths for homolytic and heterolytic cleavage of bonds to hydrogen. To determine these bond strengths, thermodynamic constants describing the stability of H(+), H˙, H(-), and H2 are essential and need to be used uniformly to enable the prediction of reactivity and equilibria. Due to discrepancies in the literature for the constants used in water, we propose the use of a set of self-consistent constants with convenient standard states.

Entities: Chemical

Year: 2015 PMID： 25697077 DOI： 10.1039/c4dt03841j

Source DB: PubMed Journal: Dalton Trans ISSN： 1477-9226 Impact factor: 4.390

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Cited

9 in total

Review 1. Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes.

Authors: R Morris Bullock; Geoffrey M Chambers
Journal: Philos Trans A Math Phys Eng Sci Date: 2017-08-28 Impact factor: 4.226

Review 2. Reduction of Substrates by Nitrogenases.

Authors: Lance C Seefeldt; Zhi-Yong Yang; Dmitriy A Lukoyanov; Derek F Harris; Dennis R Dean; Simone Raugei; Brian M Hoffman
Journal: Chem Rev Date: 2020-03-16 Impact factor: 60.622

3. Directing the reactivity of metal hydrides for selective CO₂ reduction.

Authors: Bianca M Ceballos; Jenny Y Yang
Journal: Proc Natl Acad Sci U S A Date: 2018-11-21 Impact factor: 11.205

Review 4. Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications.

Authors: Rishi G Agarwal; Scott C Coste; Benjamin D Groff; Abigail M Heuer; Hyunho Noh; Giovanny A Parada; Catherine F Wise; Eva M Nichols; Jeffrey J Warren; James M Mayer
Journal: Chem Rev Date: 2021-12-20 Impact factor: 72.087

5. CO2 Reduction Catalyzed by Nitrogenase: Pathways to Formate, Carbon Monoxide, and Methane.

Authors: Nimesh Khadka; Dennis R Dean; Dayle Smith; Brian M Hoffman; Simone Raugei; Lance C Seefeldt
Journal: Inorg Chem Date: 2016-08-08 Impact factor: 5.165

6. Computational studies on the hydride transfer barrier for the catalytic hydrogenation of CO₂ by different Ni(II) complexes.

Authors: Santu Biswas; Animesh Chowdhury; Prodyut Roy; Anup Pramanik; Pranab Sarkar
Journal: J Mol Model Date: 2018-08-07 Impact factor: 1.810

Predicting the reactivity of hydride donors in water: thermodynamic constants for hydrogen.

Review 1. Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes.

Review 2. Reduction of Substrates by Nitrogenases.

3. Directing the reactivity of metal hydrides for selective CO₂ reduction.

Review 4. Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications.

5. CO2 Reduction Catalyzed by Nitrogenase: Pathways to Formate, Carbon Monoxide, and Methane.

6. Computational studies on the hydride transfer barrier for the catalytic hydrogenation of CO₂ by different Ni(II) complexes.

7. Metalloporphyrin-modified semiconductors for solar fuel production.

8. Homogeneous catalytic reduction of polyoxometalate by hydrogen gas with a hydrogenase model complex.

9. Aqueous Hydricity of Late Metal Catalysts as a Continuum Tuned by Ligands and the Medium.

Predicting the reactivity of hydride donors in water: thermodynamic constants for hydrogen.

Review 1. Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes.

Review 2. Reduction of Substrates by Nitrogenases.

3. Directing the reactivity of metal hydrides for selective CO2 reduction.

Review 4. Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications.

5. CO2 Reduction Catalyzed by Nitrogenase: Pathways to Formate, Carbon Monoxide, and Methane.

6. Computational studies on the hydride transfer barrier for the catalytic hydrogenation of CO2 by different Ni(II) complexes.

7. Metalloporphyrin-modified semiconductors for solar fuel production.

8. Homogeneous catalytic reduction of polyoxometalate by hydrogen gas with a hydrogenase model complex.

9. Aqueous Hydricity of Late Metal Catalysts as a Continuum Tuned by Ligands and the Medium.

3. Directing the reactivity of metal hydrides for selective CO₂ reduction.

6. Computational studies on the hydride transfer barrier for the catalytic hydrogenation of CO₂ by different Ni(II) complexes.