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.

Autor: Mohammadi M; Department of Chemistry, Faculty of Science, Vali-e-Asr University of Rafsanjan, Rafsanjan, Iran., Siadati SA; Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran., Ahmadi S; Department of Chemistry, Payame Noor University, Tehran, Iran., Habibzadeh S; Department of Chemistry, Payame Noor University, Tehran, Iran., Poor Heravi MR; Department of Chemistry, Payame Noor University, Tehran, Iran., Hossaini Z; Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran., Vessally E; Department of Chemistry, Payame Noor University, Tehran, Iran.
Jazyk: angličtina
Zdroj: Frontiers in chemistry [Front Chem] 2022 Oct 05; Vol. 10, pp. 1003086. Date of Electronic Publication: 2022 Oct 05 (Print Publication: 2022).
DOI: 10.3389/fchem.2022.1003086
Abstrakt: 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.
Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
(Copyright © 2022 Mohammadi, Siadati, Ahmadi, Habibzadeh, Poor Heravi, Hossaini and Vessally.)
Databáze: MEDLINE
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