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Carbon fixation of CO(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study

Carbon dioxide (CO(2)), a stable gaseous species, occupies the troposphere layer of the atmosphere. Following it, the environment gets warmer, and the ecosystem changes as a consequence of disrupting the natural order of our life. Due to this, in the present reasearch, the possibility of carbon fixa...

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Autores principales: Mohammadi, Marziyeh, Siadati, Seyyed Amir, Ahmadi, Sheida, Habibzadeh, Sepideh, Poor Heravi, Mohammad Reza, Hossaini, Zinatossadat, Vessally, Esmail
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9620423/
https://www.ncbi.nlm.nih.gov/pubmed/36324523
http://dx.doi.org/10.3389/fchem.2022.1003086
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author Mohammadi, Marziyeh
Siadati, Seyyed Amir
Ahmadi, Sheida
Habibzadeh, Sepideh
Poor Heravi, Mohammad Reza
Hossaini, Zinatossadat
Vessally, Esmail
author_facet Mohammadi, Marziyeh
Siadati, Seyyed Amir
Ahmadi, Sheida
Habibzadeh, Sepideh
Poor Heravi, Mohammad Reza
Hossaini, Zinatossadat
Vessally, Esmail
author_sort Mohammadi, Marziyeh
collection PubMed
description Carbon dioxide (CO(2)), a stable gaseous species, occupies the troposphere layer of the atmosphere. Following it, the environment gets warmer, and the ecosystem changes as a consequence of disrupting the natural order of our life. Due to this, in the present reasearch, the possibility of carbon fixation of CO(2) by using borane was investigated. To conduct this, each of the probable reaction channels between borane and CO(2) was investigated to find the fate of this species. The results indicate that among all the channels, the least energetic path for the reaction is reactant complex (RC) to TS (A-1) to Int (A-1) to TS (A-D) to formic acid (and further meta boric acid production from the transformation of boric acid). It shows that use of gaseous borane might lead to controlling these dangerous greenhouse gases which are threatening the present form of life on Earth, our beautiful, fragile home.
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spelling pubmed-96204232022-11-01 Carbon fixation of CO(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study Mohammadi, Marziyeh Siadati, Seyyed Amir Ahmadi, Sheida Habibzadeh, Sepideh Poor Heravi, Mohammad Reza Hossaini, Zinatossadat Vessally, Esmail Front Chem Chemistry Carbon dioxide (CO(2)), a stable gaseous species, occupies the troposphere layer of the atmosphere. Following it, the environment gets warmer, and the ecosystem changes as a consequence of disrupting the natural order of our life. Due to this, in the present reasearch, the possibility of carbon fixation of CO(2) by using borane was investigated. To conduct this, each of the probable reaction channels between borane and CO(2) was investigated to find the fate of this species. The results indicate that among all the channels, the least energetic path for the reaction is reactant complex (RC) to TS (A-1) to Int (A-1) to TS (A-D) to formic acid (and further meta boric acid production from the transformation of boric acid). It shows that use of gaseous borane might lead to controlling these dangerous greenhouse gases which are threatening the present form of life on Earth, our beautiful, fragile home. Frontiers Media S.A. 2022-10-05 /pmc/articles/PMC9620423/ /pubmed/36324523 http://dx.doi.org/10.3389/fchem.2022.1003086 Text en Copyright © 2022 Mohammadi, Siadati, Ahmadi, Habibzadeh, Poor Heravi, Hossaini and Vessally. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Chemistry
Mohammadi, Marziyeh
Siadati, Seyyed Amir
Ahmadi, Sheida
Habibzadeh, Sepideh
Poor Heravi, Mohammad Reza
Hossaini, Zinatossadat
Vessally, Esmail
Carbon fixation of CO(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study
title Carbon fixation of CO(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study
title_full Carbon fixation of CO(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study
title_fullStr Carbon fixation of CO(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study
title_full_unstemmed Carbon fixation of CO(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study
title_short Carbon fixation of CO(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study
title_sort carbon fixation of co(2) via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); a potential energy surface (pes) study
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9620423/
https://www.ncbi.nlm.nih.gov/pubmed/36324523
http://dx.doi.org/10.3389/fchem.2022.1003086
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