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Elucidation of the oxidation-reduction reactions in the synthesis of Co-based nanoparticles through polyol process using 1, 2-butanediol (BEG): a theoretical study

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Abstract

The role of BEG 1,2-butanediol as a reducing agent in Co-based nanoparticle synthesis in the polyol process has not been well-detailed yet. So, we focused on the determination of the main active species derived from 1,2-butanediol (BEG) in Co-based nanoparticle synthesis and their reducing abilities through density functional theory (DFT) calculations. In the reaction medium, BEG is deprotonated by the hydroxyl ions introduced in the solution then oxidized by the metal ions. The progression of reduction and dissociation reactions of metal ions is relatively related to the reducing ability of polyols. Three species which are: dianion, monoanion and neutral molecule of BEG were considered in our investigation. The highest occupied orbital energy was estimated for the different configurations. Considering the experimental and theoretical studies, the monoanion state was suggested as the most active form. A comparative study was carried out between three polyols: BEG, PEG (1, 2-propanediol) and EG (Ethylen glycol), which are the most used solvents in Co-based nanoparticle synthesis. We showed that the highest occupied orbital energy of BEG monoanion state is relatively high compared to PEG and EG ones. Thus, BEG could reduce metal ions more easily by giving its electrons and its use can make the reaction kinetics faster.

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 SYNOPSIS The role of BEG 1,2-butanediol as a reducing agent in Co-based nanoparticle synthesis in polyol process has not been well-detailed yet. Our theoretical calculations show that the highest occupied orbital energy of BEG monoanion state is relatively high compared to most used solvents in Co-based nanoparticle synthesis. Thus, BEG could reduce metal ions more easily by giving its electrons and its use make the reaction kinetics faster.

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References

  1. Rao C N R, Deepak F L, Gundiah G and Govindaraj A 2003 Inorganic nanowires Prog. Solid State Chem. 31 5

    Article  CAS  Google Scholar 

  2. Xia Y, Yang P, Sun Y, Wu Y, Mayers B, Gates B, Yin Y, Kim F and Yan H 2003 One-dimensional nanostructures: Synthesis, characterization, and applications Adv. Mater.  15 353

    CAS  Google Scholar 

  3. Amiens C, Chaudret B, Ciuculescu-Pradines D, Collière V, Fajerwerg K, Fau P, Kahn M, Maisonnat A, Soulantica K and Philippot K 2013 Organometallic approach for the synthesis of nanostructures New J. Chem.  37 3374

    Article  CAS  Google Scholar 

  4. Fiévet F, Lagier J P and Blin B 1989 Homogeneous and heterogeneous nucleations in the polyol process for the preparation of micron and submicron size metal particles Solid State Ionics  32-33 198

    Article  Google Scholar 

  5. Ung D, Soumare Y, Chakroune N, Viau G, Vaulay M-J, Richard V and Fiévet F 2007 Growth of magnetic nanowires and nanodumbbells in liquid polyol Chem. Mater.  19 2084

    Article  CAS  Google Scholar 

  6. Soumare Y, Garcia C, Maurer T, Chaboussant G, Ott F, Fiévet F, Piquemal J-Y and Viau G 2009 Kinetically controlled synthesis of hexagonally close-packed cobalt nanorods with high magnetic coercivity Adv. Func. Mater.  19 1971

    Article  CAS  Google Scholar 

  7. (a) Chakroune N, Viau G, Ricolleau C, Fievet-Vincent F and Fievet F 2003 Cobalt-based anisotropic particles prepared by the polyolprocess J. Mater. Chem.  13 312; (b) Wu S-H and Chen D-H 2003 Synthesis and characterization of nickel nanoparticles byhydrazine reduction in ethylene glycol J. Colloid Interface Sci.  259 282

  8. Viau G, Fiévet-Vincent F and Fiévet F 1996 Monodisperse iron-based particles: Precipitation in liquid polyols J. Mater. Chem.  6 1047

    Article  CAS  Google Scholar 

  9. Joseyphus R J, Kodama D, Matsumoto T, Sato Y, Jeyadevan B and Tohji K 2007 Role of polyol in the synthesis of Fe particles J. Magnet. Magnet. Mater.  310 2393 pagination

    Article  CAS  Google Scholar 

  10. Ducamp-Sanguesa C, Herrera-Urbina R and Figlarz M 1992 Synthesis and characterization of fine and monodisperse silver particles of uniform shape J. Solid State Chem.  100 272

    Article  CAS  Google Scholar 

  11. Carroll K J, Reveles J U, Shultz M D, Khanna, S N and Carpenter E E 2011 Preparation of elemental Cu and Ni nanoparticles by the polyol method: An experimental and theoretical approach J. Phys. Chem. C  115 2656

    Article  CAS  Google Scholar 

  12. Matsumoto T, Takahashi K, Kitagishi K, Shinoda K, Cuya Huaman J L, Piquemal J-Y and Jeyadevan B 2015 Dissolution and reduction of cobalt ions in the polyol process using ethylene glycol: Identification of the active species and its role New J. Chem.  39 5008

    Article  CAS  Google Scholar 

  13. Fievet F, Fievet-Vincent F, Lagier J-P, Dumont B and Figlarz M 1993 Controlled nucleation and growth of micrometre-size copper particles prepared by the polyol process J. Mater. Chem.  3 627

    Article  CAS  Google Scholar 

  14. Joseyphus R J, Matsumoto T, Takahashi H, Kodama D, Tohji K and Jeyadevan B 2007 Designed synthesis of cobalt and its alloys by polyol process J. Solid State Chem.  180 3008

    Article  CAS  Google Scholar 

  15. Abdelmoulahi H, Ghalla H, Nasr S, Bahri M and Bellissent-Funel M-C 2016 Hydrogen-bond network in liquid ethylene glycol as studied by neutron scattering and DFT calculations J. Mol. Liq.  220 527

    Article  CAS  Google Scholar 

  16. Lopes Jesus A J, Rosado M T S, Leitão M L P and Redinha J S 2003 Molecular structure of butanediol isomers in gas and liquid states: Combination of DFT calculations and infrared spectroscopy studies J. Phys. Chem. A  107 3891

    Article  CAS  Google Scholar 

  17. Viau G, Fiévet-Vincent F and Fiévet F 1996 Nucleation and growth of bimetallic CoNi and FeNi monodisperse particles prepared in polyols Solid State Ionics  84 259

    Article  CAS  Google Scholar 

  18. Soumare Y 2008 Synthèse et organisation de nanoparticules magnétiques anisotropes par Chimie Douce: nouveaux précurseurs pour aimants permanents, Université Paris-Diderot, Paris, France

    Google Scholar 

  19. Soumare Y, Piquemal J Y, Maurer T, Ott F, Chaboussant G, Falqui A and Viau G 2008 Oriented magnetic nanowires with high coercivity J. Mater. Chem.  18 5696

    Article  CAS  Google Scholar 

  20. Frisch M J, Trucks G W, Schlegel H B, Scuseria G E, M Robb M A, Cheeseman J R, Scalmani G, Barone V, Mennucci B, Petersson G A, Nakatsuji H, Caricato M, Li X, Hratchian H P, Izmaylov A F, Bloino J, Zheng G, Sonnenberg J L, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery J A, Jr., Peralta J E, Ogliaro F, Bearpark M, Heyd J J, Brothers E, Kudin K N, Staroverov V N, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant J C, Iyengar S S, Tomasi J, Cossi M, Rega N, Millam J M, Klene M, Knox J E, Cross J B, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann R E, Yazyev O, Austin A J, Cammi R, Pomelli C, Ochterski J W, Martin R L, Morokuma K, Zakrzewski V G, Voth G A, Salvador P, Dannenberg J J, Dapprich S, Daniels A D, Farkas Ö, Foresman J B, Ortiz J V, Cioslowski J and Fox D J 2009 Gaussian, Inc., Wallingford CT

  21. Becke A D 1993 Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys.  98 5648

    Article  CAS  Google Scholar 

Download references

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Authors and Affiliations

  1. LMMA, IPEST, University of Carthage, Route Sidi Bou Said, B.P. 51, 2075, La Marsa, Tunis, Tunisia

    Khouloud Mrad, Noura Khemiri, Mhamed Ben Messaouda, Manef Abderrabba & Sabri Messaoudi

  2. LSPM, CNRS UPR 3407, University Paris 13, 99 Avenue J.-B. Clément, 93430, Villetaneuse, France

    Khouloud Mrad, Frédéric Schoenstein & Silvana Mercone

  3. FSB, Faculty of Science of Bizerte, University of Carthage, 7021, Zarzouna, Bizerte, Tunisia

    Khouloud Mrad & Sabri Messaoudi

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  1. Khouloud Mrad
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  2. Noura Khemiri
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  4. Silvana Mercone
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  5. Mhamed Ben Messaouda
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Correspondence to Sabri Messaoudi.

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Mrad, K., Khemiri, N., Schoenstein, F. et al. Elucidation of the oxidation-reduction reactions in the synthesis of Co-based nanoparticles through polyol process using 1, 2-butanediol (BEG): a theoretical study. J Chem Sci 131, 44 (2019). https://doi.org/10.1007/s12039-019-1620-y

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  • DOI: https://doi.org/10.1007/s12039-019-1620-y

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