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Collect. Czech. Chem. Commun. 2004, 69, 13-33
https://doi.org/10.1135/cccc20040013

Theoretical Study on the Mechanism of Reaction of Ground-State Fe Atoms with Carbon Dioxide

Dimitrios A. Pantazis, Athanassios C. Tsipis and Constantinos A. Tsipis*

Laboratory of Applied Quantum Chemistry, Faculty of Chemistry, Aristotle University of Thessaloniki, 541 24 Thessaloniki, Greece

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  • de Lima Batista Ana Paula, de Oliveira-Filho Antonio G. S., Braga Ataualpa A. C.: Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated $$\hbox {CO}_2$$ to CO conversion. Theor Chem Acc 2020, 139. <https://doi.org/10.1007/s00214-019-2528-9>
  • Dias Vicentini Eduardo, de Lima Batista Ana P., Sampaio de Oliveira-Filho Antonio G.: Computational mechanistic investigation of the Fe + CO2 → FeO + CO reaction. Phys. Chem. Chem. Phys. 2020, 22, 16943. <https://doi.org/10.1039/D0CP00479K>
  • Sun Yunhai, Sun Xiaoli, Huang Xuri: Reaction of CO2 with Atomic Transition Metal M+/0/– Ions: A Theoretical Study. J. Phys. Chem. A 2018, 122, 5848. <https://doi.org/10.1021/acs.jpca.8b01917>
  • Zhang Qingnan, Qu Hui, Chen Mohua, Zhou Mingfei: Carbon Dioxide Activation by Scandium Atoms and Scandium Monoxide Molecules: Formation and Spectroscopic Characterization of ScCO3 and OCScCO3 in Solid Neon. J. Phys. Chem. A 2016, 120, 425. <https://doi.org/10.1021/acs.jpca.5b11809>
  • Karlický František, Otyepka Michal: Challenges in the theoretical description of nanoparticle reactivity: Nano zero‐valent iron. Int J of Quantum Chemistry 2014, 114, 987. <https://doi.org/10.1002/qua.24627>
  • Zhang Qingnan, Chen Mohua, Zhou Mingfei: Infrared Spectra and Structures of the Neutral and Charged CrCO2 and Cr(CO2)2 Isomers in Solid Neon. J. Phys. Chem. A 2014, 118, 6009. <https://doi.org/10.1021/jp505740j>
  • Smirnov V. N., Akhmadov U. S.: Reactions of Cr atoms with NO, N2O, CO2, NO2, and SO2 molecules. Kinet Catal 2010, 51, 617. <https://doi.org/10.1134/S0023158410050010>
  • Karipidis Paraskevas A., Tsipis Constantinos A.: The dramatic effect of NH3 co‐ligation on the FE+‐assisted activation of carbon dioxide in the gas phase: From bare metal ions to complexes. J Comput Chem 2008, 29, 2382. <https://doi.org/10.1002/jcc.20971>
  • Chen Xian-Yang, Zhao Yi-Xin, Wang Shu-Guang: Relativistic DFT Study on the Reaction Mechanism of Second-Row Transition Metal Ru with CO2. J. Phys. Chem. A 2006, 110, 3552. <https://doi.org/10.1021/jp053296+>
  • TSIPIS CONSTANTINOS A.: ADVENTURES OF QUANTUM CHEMISTRY IN THE REALM OF INORGANIC CHEMISTRY. Comments on Inorganic Chemistry 2004, 25, 19. <https://doi.org/10.1080/02603590490486680>