Abstract
Nanostructures of a cobalt(II) metal–organic framework (MOF), denoted as 4,4′,4″-s-triazin-1,3,5-triyltri-p-aminobenzoate (TATAB) [[Co2(TATAB)(OH)(H2O)2].H2O.0.6O]n {1}, were successfully synthesized using two different experimental techniques: solvothermal and sonochemical strategies. Remarkably, both methods yielded an identical crystal structure. Various characterization techniques, including powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FT-IR), were employed to analyze all the compounds. Compound contains cobalt ions (Co2+) that were determined to be six-coordinated through the analysis of single-crystal X-ray diffraction (SCXRD). The effect of various factors such as temperature, reaction time, reactant concentration, and ultrasonic energy on the synthesis and final morphology of the compounds obtained by sonochemical method was investigated. Finally, Hirshfeld surface analysis (HAS) of compound was conducted. The molecular descriptors obtained at the BLYP/6–311 + + g (d, p) level of theory framework indicate a unique electronic structure for this complex, characterized by low chemical hardness (η = 1.702 eV), high electrophilicity (ω = 3.637 eV), and a narrow HOMO–LUMO gap (1.55 eV). These descriptors suggest that this complex can be considered a favorable nucleophile in interactions with proteins.
Similar content being viewed by others
References
Marandi F et al (2017) Synthesis, spectral and X-ray diffraction of two new 2D lead (II) coordination polymers formed by nicotinic acid N-oxide linkers. J Mol Struct 1149:92–98
Yang Y et al (2009) Supramolecular networks of hexanuclear cadmium (II): synthesis, crystal structure and emission property. Inorg Chim Acta 362(9):3065–3068
Moon D et al (2006) Face-driven corner-linked octahedral nanocages: M6L8 cages formed by C 3-symmetric triangular facial ligands linked via C 4-symmetric square tetratopic PdII Ions at truncated octahedron corners. J Am Chem Soc 128(11):3530–3531
Norjmaa G et al (2021) Modeling kinetics and thermodynamics of guest encapsulation into the [M4L6] 12–supramolecular organometallic cage. J Chem Inf Model 61(9):4370–4381
Evans OR, Lin W (2002) Crystal engineering of NLO materials based on metal− organic coordination networks. Acc Chem Res 35(7):511–522
Rashidi N et al (2021) Antibacterial and cytotoxicity assay of two new Zn (ii) complexes: synthesis, characterization, X-ray structure, topology, Hirshfeld surface and thermal analysis. J Mol Struct 1231:129947
Hanifehpour Y et al (2015) Sonochemical syntheses of two new flower-like nano-scale high coordinated lead (II) supramolecular coordination polymers. Ultrason Sonochem 23:282–288
Sharifzadeh Z, Morsali A (2022) Amine-functionalized metal-organic frameworks: from synthetic design to scrutiny in application. Coord Chem Rev 459:214445
Caneschi A et al (2001) Cobalt (II)-nitronyl nitroxide chains as molecular magnetic nanowires. Angew Chem Int Ed 40(9):1760–1763
Tanatani A, Mio MJ, Moore JS (2001) Chain length-dependent affinity of helical foldamers for a rodlike guest. J Am Chem Soc 123(8):1792–1793
Zhang Z et al (2023) Coordination-driven self-assembly of dibenzo-18-crown-6 functionalized Pt (II) metallacycles. Chin Chem Lett 34(2):107521
Roesky HW, Andruh M (2003) The interplay of coordinative, hydrogen bonding and π–π stacking interactions in sustaining supramolecular solid-state architectures: a study case of bis (4-pyridyl)-and bis (4-pyridyl-N-oxide) tectons. Coord Chem Rev 236(1–2):91–119
Das D, Roy S, Biradha K (2018) Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis (pyridyl) derivatives. New J Chem 42(24):19953–19962
Chen XM, Liu GF (2002) Double-stranded helices and molecular zippers assembled from single-stranded coordination polymers directed by supramolecular interactions. Chem A Eur J 8(20):4811–4817
Emerson AJ et al (2018) High-connectivity approach to a hydrolytically stable metal–organic framework for CO2 capture from flue gas. Chem Mater 30(19):6614–6618
Nabipour H et al (2020) Metal-organic frameworks for flame retardant polymers application: a critical review. Compos A Appl Sci Manuf 139:106113
Karimi M et al (2021) Metal–organic framework. Interface Science and Technology. Elsevier, pp 279–387
Liu W et al (2018) Cobalt complexes as an emerging class of catalysts for homogeneous hydrogenations. Acc Chem Res 51(8):1858–1869
Rahpeyma M, MJ Soltanian Fard, and P Hayati, Green chemistry syntheses of different morphology novel nano-sized cobalt (II) supramolecular: as a precursor for the synthesis of cobalt (II) oxide nanoparticles, thermal, Hirshfeld surface analysis, and biological activities. Iran J Chem Chem Eng 2023
Lin W, Rieter WJ, Taylor KM (2009) Modular synthesis of functional nanoscale coordination polymers. Angew Chem Int Ed 48(4):650–658
Spokoyny AM et al (2009) Infinite coordination polymer nano-and microparticle structures. Chem Soc Rev 38(5):1218–1227
Li H et al (2015) Multi-component coordination-driven self-assembly toward heterometallic macrocycles and cages. Coord Chem Rev 293:139–157
Zheng S-L et al (2001) Toward designed assembly of microporous coordination networks constructed from silver (I)− hexamethylenetetramine layers. Inorg Chem 40(14):3562–3569
Kirillov AM (2011) Hexamethylenetetramine: an old new building block for design of coordination polymers. Coord Chem Rev 255(15–16):1603–1622
Barcikowski S et al (2019) Materials synthesis in a bubble. MRS Bull 44(5):382–391
Qiu L-G et al (2008) Facile synthesis of nanocrystals of a microporous metal–organic framework by an ultrasonic method and selective sensing of organoamines. Chem Commun 31:3642–3644
Sabouni R, Kazemian H, Rohani S (2010) A novel combined manufacturing technique for rapid production of IRMOF-1 using ultrasound and microwave energies. Chem Eng J 165(3):966–973
Safarifard V, Morsali A, Joo SW (2013) Sonochemical synthesis and characterization of nano-sized lead (II) 3D coordination polymer: precursor for the synthesis of lead (II) oxybromide nanoparticles. Ultrason Sonochem 20(5):1254–1260
Paulusse JM, Huijbers JP, Sijbesma RP (2006) Quantification of ultrasound-induced chain scission in PdII–phosphine coordination polymers. Chem Eur J 12(18):4928–4934
Suslick KS (1991) The sonochemical hot spot. J Acoust Soc Am 89:1885–1886
Haque E et al (2010) Synthesis of a metal–organic framework material, iron terephthalate, by ultrasound, microwave, and conventional electric heating: a kinetic study. Chem Eur J 16(3):1046–1052
Jung D-W et al (2010) Facile synthesis of MOF-177 by a sonochemical method using 1-methyl-2-pyrrolidinone as a solvent. Dalton Trans 39(11):2883–2887
Alavi MA, Morsali A (2010) Syntheses and characterization of Sr (OH) 2 and SrCO3 nanostructures by ultrasonic method. Ultrason Sonochem 17(1):132–138
Rigaku, C.-S., Expert 2.1 b43. The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan, 2014
Sheldrick GM (2015) SHELXT–integrated space-group and crystal-structure determination. Acta Crystallogr A Found Adv 71(1):3–8
Spek AL (2009) Structure validation in chemical crystallography. Acta Crystallogr D Biol Crystallogr 65(2):148–155
Nonius, B., SADABS. Bruker Nonius, Delft, The Netherlands, 2002
Altomare A et al (1999) SIR97: a new tool for crystal structure determination and refinement. J Appl Crystallogr 32(1):115–119
Turner, M., et al., CrystalExplorer17; University of Western Australia, 2017. (b) Spackman, MA; Jayatilaka, D. CrystEngComm, 2009 11 19
Blatov VA, Shevchenko AP, Proserpio DM (2014) Applied topological analysis of crystal structures with the program package ToposPro. Cryst Growth Des 14(7):3576–3586
Farrugia LJ (2012) WinGX and ORTEP for Windows: an update. J Appl Crystallogr 45(4):849–854
Abbasi A, Moradpour T, Van Hecke K (2015) A new 3D cobalt (II) metal–organic framework nanostructure for heavy metal adsorption. Inorg Chim Acta 430:261–267
Pakiari AH, Eshghi F (2017) Geometric and electronic structures of vanadium sub-nano clusters, Vn (n= 2–5), and their adsorption complexes with CO and O2 ligands: a DFT-NBO study. Phys Chem Res 5(3):601–615
Frisch M et al., Gaussian 09, Revision D. 01, Gaussian, Inc., Wallingford CT. See also: URL: http://www.gaussian.com, 2009
Wang YA, Liu S, Parr RG (1997) Laurent series expansions in density functional theory. Chem Phys Lett 267(1–2):14–22
Molegro A, MVD Molegro Virtual Docker 5.0. Molegro: Aarhus C, Denmark, 2011
Thomsen R, Christensen MH (2006) MolDock: a new technique for high-accuracy molecular docking. J Med Chem 49(11):3315–3321
Li CG et al (2022) Novel zinc (II) and nickel (II) complexes of a quinazoline-based ligand with an imidazole ring: Synthesis, spectroscopic property, antibacterial activities, time-dependent density functional theory calculations and Hirshfeld surface analysis. Appl Organomet Chem 36(5):e6622
Tyula YA et al (2018) A new supramolecular zinc (II) complex containing 4-biphenylcarbaldehyde isonicotinoylhydrazone ligand: nanostructure synthesis, catalytic activities and Hirshfeld surface analysis. Appl Organomet Chem 32(3):e4141
Chai YM et al (2022) Antimicrobial activities of two 1-D, 2-D, and 3-D mononuclear Mn (II) and dinuclear Bi (III) complexes: X-ray structures, spectroscopic, electrostatic potential, Hirshfeld surface analysis, and time-dependent/density functional theory studies. Appl Organomet Chem 36(6):e6682
Tasi G et al (1993) Calculation of electrostatic potential maps and atomic charges for large molecules. J Chem Inf Comput Sci 33(3):296–299
Acknowledgements
Support of this investigation by Islamic Azad University, Ahvaz Branch, is gratefully acknowledged.
Author information
Authors and Affiliations
Contributions
Elahe Hosseini worked on the synthesis of nanocomposite. Mohammad Kazem Mohammadi, Haman Tavakkoli, and Ayeh Rayatzadeh characterized the synthesized nanostructure and theory.
Corresponding author
Ethics declarations
Competing interests
The author(s) declare no competing interests.
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Supplementary Information
Below is the link to the electronic supplementary material.
Rights and permissions
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
About this article
Cite this article
Hosseini, S.E., Mohammadi, M.K., Hayati, P. et al. Controlled morphology of a new 3D Co(II) metal–organic framework (Co-MOF) via green sonochemical synthesis: crystallography, Hirshfeld surface analysis. J Nanopart Res 26, 100 (2024). https://doi.org/10.1007/s11051-024-05991-8
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s11051-024-05991-8