Mechanistic implications of the solvent kinetic isotope effect in the hydrolysis of NaBH (4)

Alina Sermiagin; Dan Meyerstein; Gifty Sara Rolly; Totan Mondal; Haya Kornweitz; Tomer Zidki

doi:10.1016/j.ijhydene.2021.11.040

Mechanistic implications of the solvent kinetic isotope effect in the hydrolysis of NaBH (4)

Alina Sermiagin, Dan Meyerstein, Gifty Sara Rolly, Totan Mondal, Haya Kornweitz, Tomer Zidki

Department of Chemical Sciences

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

The sodium borohydride, NaBH4, hydrolysis mechanism is studied via the H2O/D2O kinetic isotope effect (KIE). This reaction is of importance as NaBH4 is considered as a hydrogen storage material. Nowadays, hydrogen is thought to be one of the most promising and efficient clean energy carriers. In order to control the rate of the hydrogen evolution reaction (HER), one has to understand the mechanism of its production. The H2O/D2O KIE of the reactions of NaBH4 and NaBD4 with water was studied in solutions containing a ratio of H2O/D2O = 1.00. The separation factor, α, of both reactions is α = 5.0 ± 1.0. The rate of the hydrolysis of BD4− in H2O is faster than that of BH4−. The results point out that the rate-determining step in all hydrolysis stages is the H–OH bond scission.

Original language	English
Pages (from-to)	3972-3979
Number of pages	8
Journal	International Journal of Hydrogen Energy
Volume	47
Issue number	6
DOIs	https://doi.org/10.1016/j.ijhydene.2021.11.040
State	Published - 19 Jan 2022

Keywords

Borohydride hydrolysis
Hydrogen evolution
Isotopic labelling
Kinetic isotope effect (KIE)
Mechanism

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10.1016/j.ijhydene.2021.11.040

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title = "Mechanistic implications of the solvent kinetic isotope effect in the hydrolysis of NaBH (4)",

abstract = "The sodium borohydride, NaBH4, hydrolysis mechanism is studied via the H2O/D2O kinetic isotope effect (KIE). This reaction is of importance as NaBH4 is considered as a hydrogen storage material. Nowadays, hydrogen is thought to be one of the most promising and efficient clean energy carriers. In order to control the rate of the hydrogen evolution reaction (HER), one has to understand the mechanism of its production. The H2O/D2O KIE of the reactions of NaBH4 and NaBD4 with water was studied in solutions containing a ratio of H2O/D2O = 1.00. The separation factor, α, of both reactions is α = 5.0 ± 1.0. The rate of the hydrolysis of BD4− in H2O is faster than that of BH4−. The results point out that the rate-determining step in all hydrolysis stages is the H–OH bond scission.",

keywords = "Borohydride hydrolysis, Hydrogen evolution, Isotopic labelling, Kinetic isotope effect (KIE), Mechanism",

author = "Alina Sermiagin and Dan Meyerstein and Rolly, {Gifty Sara} and Totan Mondal and Haya Kornweitz and Tomer Zidki",

note = "Publisher Copyright: {\textcopyright} 2021 Hydrogen Energy Publications LLC",

year = "2022",

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AU - Sermiagin, Alina

AU - Meyerstein, Dan

AU - Rolly, Gifty Sara

AU - Mondal, Totan

AU - Kornweitz, Haya

AU - Zidki, Tomer

PY - 2022/1/19

Y1 - 2022/1/19

N2 - The sodium borohydride, NaBH4, hydrolysis mechanism is studied via the H2O/D2O kinetic isotope effect (KIE). This reaction is of importance as NaBH4 is considered as a hydrogen storage material. Nowadays, hydrogen is thought to be one of the most promising and efficient clean energy carriers. In order to control the rate of the hydrogen evolution reaction (HER), one has to understand the mechanism of its production. The H2O/D2O KIE of the reactions of NaBH4 and NaBD4 with water was studied in solutions containing a ratio of H2O/D2O = 1.00. The separation factor, α, of both reactions is α = 5.0 ± 1.0. The rate of the hydrolysis of BD4− in H2O is faster than that of BH4−. The results point out that the rate-determining step in all hydrolysis stages is the H–OH bond scission.

AB - The sodium borohydride, NaBH4, hydrolysis mechanism is studied via the H2O/D2O kinetic isotope effect (KIE). This reaction is of importance as NaBH4 is considered as a hydrogen storage material. Nowadays, hydrogen is thought to be one of the most promising and efficient clean energy carriers. In order to control the rate of the hydrogen evolution reaction (HER), one has to understand the mechanism of its production. The H2O/D2O KIE of the reactions of NaBH4 and NaBD4 with water was studied in solutions containing a ratio of H2O/D2O = 1.00. The separation factor, α, of both reactions is α = 5.0 ± 1.0. The rate of the hydrolysis of BD4− in H2O is faster than that of BH4−. The results point out that the rate-determining step in all hydrolysis stages is the H–OH bond scission.

KW - Borohydride hydrolysis

KW - Hydrogen evolution

KW - Isotopic labelling

KW - Kinetic isotope effect (KIE)

KW - Mechanism

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JO - International Journal of Hydrogen Energy

JF - International Journal of Hydrogen Energy

IS - 6

ER -

Mechanistic implications of the solvent kinetic isotope effect in the hydrolysis of NaBH (4)

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Keywords

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