The curious saga of dehydrogenation/hydrogenation for chemical hydrogen storage: a mechanistic perspective

Bhattacharjee, Ishita; Sultana, Munia; Bhunya, Sourav; Paul, Ankan

doi:10.1039/d1cc06238g

Cited by 8 publications

(3 citation statements)

References 97 publications

(68 reference statements)

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“…In the area of chemical hydrogen storage and release, many outstanding reviews, perspectives, and accounts on heterogeneous and homogeneous catalytic systems have sprung up, 17,26,38−44 most of which focus on one of the chemical H 2 carriers [formic acid (including formate salts), 45−52 Nheterocycles, 18,30,53−56 (aromatic) hydrocarbons, 23,57−60 ammonia, 18,61 ammonia−borane, 62 or dimethyl ether 63 ] or on the individual hydrogen production/release reactions. 64−71 To be clear, we distinguish three development stages on the way to a hydrogen battery (Figure 1): (A) the development and optimization of the individual hydrogenation and dehydrogenation reactions of substrates/products known as hydrogen carrier molecules, (B) the successful application of the same catalyst system in both directions, and (C) finally the integration of the reversible (de)hydrogenation processes in one reactor/device which mimics the classic rechargeable electric battery.…”

Section: ■ Chemical Hydrogen Storagementioning

confidence: 99%

“…In the area of chemical hydrogen storage and release, many outstanding reviews, perspectives, and accounts on heterogeneous and homogeneous catalytic systems have sprung up, ,,− most of which focus on one of the chemical H 2 carriers [formic acid (including formate salts), − N -heterocycles, ,,− (aromatic) hydrocarbons, ,− ammonia, , ammonia–borane, or dimethyl ether] or on the individual hydrogen production/release reactions. − Notably, in a large proportion of the previous reports, only one individual reaction, either H 2 storage or H 2 release, is involved or discussed rather than combining those individual reactions to demonstrate the overall concept of chemical H 2 batteries; even the research works are very often entitled to contain the topic of “H 2 storage and release”. Those examples are not considered in this Review.…”

Section: Chemical Hydrogen Storagementioning

confidence: 99%

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Toward a Hydrogen Economy: Development of Heterogeneous Catalysts for Chemical Hydrogen Storage and Release Reactions

Wei

Shi

et al. 2022

ACS Energy Lett.

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Chemical hydrogen storage and release processes are essential steps for the implementation of new energy vectors. In general, the individual reactions involved in such technologies need catalysts to allow discharging and recharging hydrogen in a stable and efficient manner. In recent years, the development of hydrogen storage materials and their use in renewable energy systems have experienced rapid growth. While many academic works in this area make use of homogeneous catalysts, there is the practical need for heterogeneous catalytic systems, which often can be more easily applied on a larger industrial scale. In this Review we highlight the present status of using heterogeneous materials as catalysts for both chemical hydrogen storage and release systems, providing detailed reaction parameters for practical demonstration. The pros and cons of the currently known systems and their differences relative to homogeneous catalysts are also explained and critically discussed.

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Section: ■ Chemical Hydrogen Storagementioning

confidence: 99%

“…In the area of chemical hydrogen storage and release, many outstanding reviews, perspectives, and accounts on heterogeneous and homogeneous catalytic systems have sprung up, ,,− most of which focus on one of the chemical H 2 carriers [formic acid (including formate salts), − N -heterocycles, ,,− (aromatic) hydrocarbons, ,− ammonia, , ammonia–borane, or dimethyl ether] or on the individual hydrogen production/release reactions. − Notably, in a large proportion of the previous reports, only one individual reaction, either H 2 storage or H 2 release, is involved or discussed rather than combining those individual reactions to demonstrate the overall concept of chemical H 2 batteries; even the research works are very often entitled to contain the topic of “H 2 storage and release”. Those examples are not considered in this Review.…”

Section: Chemical Hydrogen Storagementioning

confidence: 99%

Toward a Hydrogen Economy: Development of Heterogeneous Catalysts for Chemical Hydrogen Storage and Release Reactions

Wei

Shi

et al. 2022

ACS Energy Lett.

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“…Materials capable of storing hydrogen are a possible alternative to hydrocarbon-based fuels, since they are more environmentally friendly sources of energy and could help improving the environmental situation. [1] According to the literature, molecules with BÀ N bonds are interesting systems for hydrogen storage, [2] and that is why we have computationally studied the reaction involving ammonia borane 1 (BNH 6 ) and cyclotriborazane 4 (B 3 N 3 H 12 ) as reagents with pyrazole 6 acting as catalyst. These and related molecules are shown in Figure 1.…”

Section: Introductionmentioning

confidence: 99%

Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst

et al. 2023

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Theoretical chemistry (DLPNO‐CCSD(T)/def2‐TZVP//M06‐2x/aug‐cc‐pVDZ) was used to design a system based on ammonia boranes catalyzed by pyrazoles with the aim of producing dihydrogen, nowadays of high interest as clean fuel. The reactivity of ammonia borane and cyclotriborazane were investigated, including catalytic activation through 1H‐pyrazole, 4‐methoxy‐1H‐pyrazole, and 4‐nitro‐1H‐pyrazole. The results point toward a catalytic cycle by which, at the same time, ammonia borane can initially store and then, through catalysis, produce dihydrogen and amino borane. Subsequently, amino borane can trimerize to form cyclotriborazane that, in presence of the same catalyst, can also produce dihydrogen. This study proposes therefore a consistent progress in using environmentally sustainable (metal free) catalysts to efficiently extract dihydrogen from small B−N bonded molecules.

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Uncovering the Synchronous Role of Bis‐borane with Nucleophilic Solvent as Frustrated Lewis Pair in Metal‐Free Catalytic Dehydrogenation of Ammonia‐borane**

et al. 2022

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Metal free catalysis has emerged as a viable alternative for transition metal based catalysts for enabling different chemical processes, particularly for de/hydrogenation reactions. Herein, employing theoretical studies we reveal the unexpected Frustrated Lewis Pair like reactivity of a boron based catalyst, 9,10-dichlorodiboraanthracene and the ethereal solvent to enable dehydrogenation of ammonia-borane (NH 3 BH 3 , AB) under moderate conditions. The mechanistic channels thus uncovered reveal that the boron catalyst abstracts a hydride from NH 3 BH 3 followed by crucial stabilization of the NH 3 BH 2 + moiety by the nucleophilic action of the solvent. H 2 is released by the combination of hydride and proton from the borohydride moiety and the solvated NH 3 BH 2 + respectively. Catalysis becomes unfeasible if the Lewis base-like action of the ethereal solvent is not taken into consideration. Thus, it is suggested that the clandestine partnership of the Lewis Acid, Boron catalyst and the Lewis Base, ethereal solvent, i. e. FLP like action enables dehydrogenation of NH 3 BH 3 in the instant case.[a] M. Sultana, I.

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The curious saga of dehydrogenation/hydrogenation for chemical hydrogen storage: a mechanistic perspective

Abstract: Hydrogen Storage is an indispensable component of hydrogen based fuel economy. Chemical hydrogen storage relies on development of lightweight compounds which can deliver high weight percentage of H2 at moderate...

Cited by 8 publications

References 97 publications

Toward a Hydrogen Economy: Development of Heterogeneous Catalysts for Chemical Hydrogen Storage and Release Reactions

Toward a Hydrogen Economy: Development of Heterogeneous Catalysts for Chemical Hydrogen Storage and Release Reactions

Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst

Uncovering the Synchronous Role of Bis‐borane with Nucleophilic Solvent as Frustrated Lewis Pair in Metal‐Free Catalytic Dehydrogenation of Ammonia‐borane**

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