In recent years, much attention has been focused on cobalt catalysis because of its abundance on Earth, low toxicity, and low cost. A lot of work has been focused on catalysis with cobalt porphyrin. A very interesting chemical reaction catalysed by cobalt(II) porphyrin is the Oxidation of methanol to formaldehyde. The formaldehyde formed in this reaction can be used in the synthesis of 1,5-diketones. Herein in this work, A density functional theory calculations at the APFD/SDD level were performed to study the optimised geometry of the intermediate cobalt porphyrin complexes formed in this oxidation reaction, and the thermochemistry parameters for the relevant steps were calculated. The reactions between cobalt(II) porphyrin and methanol, methoxide, and methoxy radical yield complexes Copor(CH3OH), [Copor(CH3O)]-, Copor(CH3O), respectively; all of these are exothermic reactions. These complexes produce formaldehyde and complexes in which one hydrogen attaches cobalt porphyrin either to nitrogen or to cobalt to form natural or anion complexes, such as [Copor(NH)]-, [Copor(H)]-, Copor(NH), Copor(H). Of these complexes, the formation of Copor(H) (one hydrogen atom forms a bond with a cobalt atom) is the least endothermic. Complexes where hydrogen atoms form bonds with cobalt atoms are more stable than complexes where hydrogen atoms form bonds with nitrogen porphyrin. Hydrogen molecules may be produced from the reaction between Copor(NH) and Copor(H). Finally, Copor(H) can be used as a catalyst in the oxidation reaction of methanol to formaldehyde.
| Published in | Science Journal of Chemistry (Volume 10, Issue 6) |
| DOI | 10.11648/j.sjc.20221006.11 |
| Page(s) | 186-201 |
| Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
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Copyright © The Author(s), 2024. Published by Science Publishing Group |
Cobalt (II) Porphyrin, Density Functional Theory, Thermochemistry, Oxidation, Methanol
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APA Style
Anan Haj Ichia Arisha. (2022). Thermochemistry of Co(II) Porphyrin-Catalysed Oxidation of Methanol to Formaldehyde. Science Journal of Chemistry, 10(6), 186-201. https://doi.org/10.11648/j.sjc.20221006.11
ACS Style
Anan Haj Ichia Arisha. Thermochemistry of Co(II) Porphyrin-Catalysed Oxidation of Methanol to Formaldehyde. Sci. J. Chem. 2022, 10(6), 186-201. doi: 10.11648/j.sjc.20221006.11
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author = {Anan Haj Ichia Arisha},
title = {Thermochemistry of Co(II) Porphyrin-Catalysed Oxidation of Methanol to Formaldehyde},
journal = {Science Journal of Chemistry},
volume = {10},
number = {6},
pages = {186-201},
doi = {10.11648/j.sjc.20221006.11},
url = {https://doi.org/10.11648/j.sjc.20221006.11},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sjc.20221006.11},
abstract = {In recent years, much attention has been focused on cobalt catalysis because of its abundance on Earth, low toxicity, and low cost. A lot of work has been focused on catalysis with cobalt porphyrin. A very interesting chemical reaction catalysed by cobalt(II) porphyrin is the Oxidation of methanol to formaldehyde. The formaldehyde formed in this reaction can be used in the synthesis of 1,5-diketones. Herein in this work, A density functional theory calculations at the APFD/SDD level were performed to study the optimised geometry of the intermediate cobalt porphyrin complexes formed in this oxidation reaction, and the thermochemistry parameters for the relevant steps were calculated. The reactions between cobalt(II) porphyrin and methanol, methoxide, and methoxy radical yield complexes Copor(CH3OH), [Copor(CH3O)]-, Copor(CH3O), respectively; all of these are exothermic reactions. These complexes produce formaldehyde and complexes in which one hydrogen attaches cobalt porphyrin either to nitrogen or to cobalt to form natural or anion complexes, such as [Copor(NH)]-, [Copor(H)]-, Copor(NH), Copor(H). Of these complexes, the formation of Copor(H) (one hydrogen atom forms a bond with a cobalt atom) is the least endothermic. Complexes where hydrogen atoms form bonds with cobalt atoms are more stable than complexes where hydrogen atoms form bonds with nitrogen porphyrin. Hydrogen molecules may be produced from the reaction between Copor(NH) and Copor(H). Finally, Copor(H) can be used as a catalyst in the oxidation reaction of methanol to formaldehyde.},
year = {2022}
}
TY - JOUR T1 - Thermochemistry of Co(II) Porphyrin-Catalysed Oxidation of Methanol to Formaldehyde AU - Anan Haj Ichia Arisha Y1 - 2022/11/22 PY - 2022 N1 - https://doi.org/10.11648/j.sjc.20221006.11 DO - 10.11648/j.sjc.20221006.11 T2 - Science Journal of Chemistry JF - Science Journal of Chemistry JO - Science Journal of Chemistry SP - 186 EP - 201 PB - Science Publishing Group SN - 2330-099X UR - https://doi.org/10.11648/j.sjc.20221006.11 AB - In recent years, much attention has been focused on cobalt catalysis because of its abundance on Earth, low toxicity, and low cost. A lot of work has been focused on catalysis with cobalt porphyrin. A very interesting chemical reaction catalysed by cobalt(II) porphyrin is the Oxidation of methanol to formaldehyde. The formaldehyde formed in this reaction can be used in the synthesis of 1,5-diketones. Herein in this work, A density functional theory calculations at the APFD/SDD level were performed to study the optimised geometry of the intermediate cobalt porphyrin complexes formed in this oxidation reaction, and the thermochemistry parameters for the relevant steps were calculated. The reactions between cobalt(II) porphyrin and methanol, methoxide, and methoxy radical yield complexes Copor(CH3OH), [Copor(CH3O)]-, Copor(CH3O), respectively; all of these are exothermic reactions. These complexes produce formaldehyde and complexes in which one hydrogen attaches cobalt porphyrin either to nitrogen or to cobalt to form natural or anion complexes, such as [Copor(NH)]-, [Copor(H)]-, Copor(NH), Copor(H). Of these complexes, the formation of Copor(H) (one hydrogen atom forms a bond with a cobalt atom) is the least endothermic. Complexes where hydrogen atoms form bonds with cobalt atoms are more stable than complexes where hydrogen atoms form bonds with nitrogen porphyrin. Hydrogen molecules may be produced from the reaction between Copor(NH) and Copor(H). Finally, Copor(H) can be used as a catalyst in the oxidation reaction of methanol to formaldehyde. VL - 10 IS - 6 ER -
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