Carbon fixation of CO2 via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study

Marziyeh Mohammadi; Seyyed Amir Siadati; Sheida Ahmadi; Sepideh Habibzadeh; Mohammad Reza Poor Heravi; Zinatossadat Hossaini; Esmail Vessally

doi:10.3389/fchem.2022.1003086

Carbon fixation of CO₂ via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study

Front Chem. 2022 Oct 5:10:1003086. doi: 10.3389/fchem.2022.1003086. eCollection 2022.

Authors

Marziyeh Mohammadi¹, Seyyed Amir Siadati², Sheida Ahmadi³, Sepideh Habibzadeh³, Mohammad Reza Poor Heravi³, Zinatossadat Hossaini², Esmail Vessally³

Affiliations

¹ Department of Chemistry, Faculty of Science, Vali-e-Asr University of Rafsanjan, Rafsanjan, Iran.
² Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran.
³ Department of Chemistry, Payame Noor University, Tehran, Iran.

Abstract

Carbon dioxide (CO₂), 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 CO₂ by using borane was investigated. To conduct this, each of the probable reaction channels between borane and CO₂ 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.

Keywords: CO2 fixation; atmospheric pollution; borane cycle; carbon dioxide; metaboric acid; reaction channels.