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  3. Synthesis and identification of a number of zinc, cadmium and mercury complexes with ligands

Synthesis and identification of a number of zinc, cadmium and mercury complexes with ligands

Number of pages: 182 File Format: word File Code: 31886
Year: 2012 University Degree: Master's degree Category: Chemical - Petrochemical Engineering
Tags/Keywords: Coordination - Coordination chemistry - Diamine propane - Nitrophenylallylidene - Regenerative ligand - Regenerative ligand - tetrahedron
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  • Summary of Synthesis and identification of a number of zinc, cadmium and mercury complexes with ligands

    Master's thesis in the field of mineral chemistry

    Abstract:

    Synthesis and identification of symmetric bis((E)-2-nitrophenylallylidene)-2 and 2-dimethyl-1,3-diaminepropane with the general formula MLX2 It was carried out where M represents zinc (II), cadmium (II) and mercury (II) metals and X includes chloride, bromide, iodide, thiocyanate and azide ions. Various methods were used to identify and determine the structure of the synthesized complexes, such as: elemental analysis, IR, UV-Vis, 1H-NMR, 13C-NMR, TG, CV, conductivity and melting point. Spectral and analytical data confirmed the ratio of 1:1 metal to ligand in these complexes. These complexes had a quasi-tetrahedral geometric arrangement with the C1 point group. Ligand structure and zinc complexes were optimized by computational methods. The obtained results confirmed the quasi-tetrahedral arrangement in all complexes. Some important features such as bond length, bond angle, dihedral angle, H?, G?, total energy, etc. were extracted for optimal structures. The electrochemical behavior of the ligand and the complexes were investigated by cyclic voltammetry and their oxidation and reduction potentials were extracted. In addition, the thermal analysis of ligand and zinc complexes was investigated in the range of room temperature up to 600 degrees Celsius. The TG/DTA plots show 5 thermal decomposition steps for the ligand and 2 to 3 thermal decomposition steps for the zinc complexes. According to TG/DTA graphs, some thermal-kinetic information such as activation energy, entropy, enthalpy and Gibbs free energy were obtained in each decomposition step through computational methods. rtl;"> (ATCC 25922), Salmonella and Pseudomonas aeruginosa (ATCC 9027) and 2 Gram positive bacteria including Staphylococcus aureus (ATCC 6538) and Corynebacterium renale were investigated. Antifungal properties of these compounds were also investigated on 3 species of fungi including Aspergillus niger, Penicillium chrysogenum and Candida albicans.

    Key words: Bazchiff ligand, bidentate, complex, tetrahedral, 2-nitrophenylpropanal, 2- and 2-dimethyl-1,3-diaminepropane

     

     

    Chapter One

    Introduction and preliminary principles

     

     

    1-1- Coordination chemistry[1]

    A complex is a combination consisting of a central metal atom and two or more atoms, molecules or ions, which are called ligands. Ligands have non-metal atoms that, like a Lewis base, provide a pair of electrons to the central metal, which is usually an intermediate metal and acts as a Lewis acid. Therefore, the bond in the complexes is dative or coordination [2]. For this reason, they are also called coordination compounds [1].

    1-2- History

    The chemistry of transition metals has a wide relationship with the chemistry of coordination compounds. These compounds, which are also called complexes, play a very important role in our modern life. Studying and examining them has a prominent role to understand the concepts of chemical bonding and to find out about the rules and laws governing mineral chemistry and to learn it. In addition to its practical and economic importance, these compounds are also very important from the point of view of theoretical studies. For many years, complexes were only of interest to theoretical and mineral chemists, but today the important use of these compounds has been identified, especially in the field of understanding biological processes [2]. Determining the exact date of the discovery of the first metal complex compound is a difficult task. Perhaps the first complex compound recorded in history is a complex called Prussian blue [3], this compound was prepared by Diesbach [4] at the beginning of the 19th century [3].. In addition to the role they play in the dynamics of biological processes and stabilizing the formations of large biomolecules, metal ions are also important in the form of crystalline minerals or amorphous materials as constituents in many living organisms [4]. rtl;">

    1-3- Coordination numbers[5]

    In a complex, the number of ligands that are around the central atom is called the coordination number. Coordination numbers vary between 1 and 12.

    1-3-1- Coordination number 4

    This coordination number has an important place in coordination chemistry. Possible structural forms are tetrahedral (D2d), tetrahedral or tetrahedral (Td), square planar (D4h). Among these structures, two tetrahedral and square planar forms are more common [5]. In the case of coordination compounds, there is usually a mixture of both. The larger the ligands, the more possible the formation of tetrahedral complexes, because in a square planar arrangement the bond angle will be equal to 90 degrees, but in a tetrahedral arrangement it will be equal to 109.5 degrees. Therefore, the effect of spatial hindrance is reduced and the system becomes stable. Tetrahedral complexes do not have geometric isomers, for them the field is weak and they are paramagnetic [3]. It is of dsp2 type, in which the d orbital participating in the hybridization is the y2-dx2 axial orbitals and actually extends along the square diameters, and the two p orbitals participating in this hybridization are px and py. The smaller the ligands and the higher their nucleophilicity and the larger the central atom and the effective charge of the nucleus, the possibility of pairing electrons in orbitals or raising them to a higher level. These orbitals (except for the d7 and d9 complexes) are low spin [6]. That is, the number of unpaired electrons is reduced as much as possible and they often become diamagnetic species.

    base ligand (L), N,N- bis ((E)-2-nitrophenyl allylidene)-2, 2 dimethyl propane-1, 3 diamine, and its complexes with general formula MLX2 (M= Zn(II), Cd(II) and Hg(II)) and X= Cl?, Br?, I?, SCN?, N3?) were described. The authenticity of the ligand and its complexes has been established by microanalyses, FT-IR, UV-Vis, 1H-NMR and 13C-NMR spectra and by molar conductivity measurements, melting point, cyclic voltammetry, thermal gravimetry. The analytical and spectra data confirmed that the metal to ligand ratio in these complexes is 1:1. These complexes have been suggested to be pseudo-tetrahedral geometry with C1 point group. The structure of the ligand and complexes were optimized by theoretical methods. The results confirmed the pseudo-tetrahedral geometry for all complexes. Some important properties such as bond lengths, bond angle, dihedral angles, ?H, ?G, total energy and etc., were extracted for optimized structures. The electrochemical behavior of the ligand and complexes were investigated by cyclic voltammetry technique. The reduction and oxidation potentials of them were derived.

    Antibacterial activity of novel Schiff base ligand and all complexes were investigated against three Gram-negative bacteria; Escherichia coli (ATCC 25922), Salmonella Spp.

  • Contents & References of Synthesis and identification of a number of zinc, cadmium and mercury complexes with ligands

    List:

    Chapter 1 introduction and preliminary principles

    1-1- Coordination chemistry. 1

    1-2- History. 1

    1-3- coordination numbers. 2

    1-3-1- coordination number 4. 2

    1-3-1-1- tetrahedral complexes. 2

    1-3-1-2- square flat complexes. 2

    1-4- Zinc. 3

    1-5- cadmium. 3

    1-6- Mercury 3

    1-7- How to form bonds in coordination compounds. 4

    1-8- Types of electron transfers. 4

    1-8-1- ligand field transitions or d-d. 4

    1-8-2- Charge transfer transitions 4

    1-8-2-1- Ligand-to-metal transfer transition (LMCT) 5

    1-8-2-2- Metal-to-ligand transfer transition (MLCT) 5

    1-8-3- Intervalent transitions. 5

    1-8-4- transitions within the ligand. 5

    1-9- Schiff bases. 6

    1-9-1- Abbreviated nomenclature of Schiff base compounds. 6

    1-9-2- Preparation of Schiff bases. 7

    1-10- An overview of the complexes synthesized with metals Zn(II), Cd(II), Hg(II) 7

    1-11- An overview of the complexes synthesized with smoky Schiff base ligands. 12

    1-12- Application of Bazshif complexes. 17

    1-13- Bacteria. 18

    1-13-1- Escherichia coli. 19

    1-13-2- Staphylococcus aureus. 20

    1-13-3- Salmonella. 21

    1-13-4- Pseudomonas aeruginosa 21

    1-13-5- Corynebacterium renale. 22

    1-13-6- gram positive and gram negative bacteria. 23

    1-14- Mushroom. 23

    1-14-1- Candida albicans. 24

    1-14-2- Aspergillus niger. 24

    1-14-3- Penicillium chrysogenum. 25

    1-15- An overview of the applications of open Schiff metal complexes in the field of biology. 26

    1-16- Cyclic voltammetry. 32

    1-17- thermal analysis. 33

    1-17-1- Differential thermal analysis (DTA) 34

    1-17-2- Thermogravimetry (TGA) 34

    Chapter II, experimental part

    2-1- Chemicals and solvents 36

    2-2-1- Culture medium, bacteria, fungi, antibiotics and tools used 36

    2-2-1-1- Culture media used 36

    2-2-1-2- Gram-negative bacteria. 36

    2-2-1-3- gram positive bacteria. 37

    2-2-1-4- Fungi 37

    2-2-1-5- Control antibiotics. 37

     

    2-2-1-6- Devices used in the microbial department. 37

    2-2- Devices used 37

    2-2-1- Infrared spectrum. 37

    2-2-2- nuclear magnetic resonance spectrum (H-NMR1) and (C-NMR13) 37

    2-2-3- ultraviolet-visible spectrum (UV-Vis) 38

    2-2-4- melting point. 38

    2-2-5- Molar conductance. 38

    2-2-6- elemental analysis. 38

    2-2-7- Electrochemistry. 38

    2-2-8- thermal analysis. 38

    2-2-9- Scanning electron microscope. 39

    2-2-10- grams of the house. 39

    2-2-11- Autoclave 39

    2-3- Synthesis of bidentate open Schiff ligand N,N-bis((E)-2-nitrophenylallylidene)-2 and 2-dimethyl-1,3-diaminepropane 39

    2-4- Synthesis of ZnLCl2 complex 40

    2-5- Synthesis of ZnLBr2 complex 41

    2-6- Synthesis of ZnLI2 complex 42

    2-7- Synthesis of CdLCl2 complex 42

    2-8- Synthesis of CdLBr2 complex 43

    2-9- Synthesis of CdLI2 complex 44

    2-10- Synthesis HgLCl2 complex 45

    2-11- Synthesis of HgLBr2 complex 46

    2-12- Synthesis of HgLI2 complex 46

    2-13- Synthesis of ZnL(NCS)2 complex 47

    2-14- Synthesis of CdL(NCS)2 complex 48

    2-15- Synthesis HgL(SCN)2 complex 49

    2-16- Synthesis of ZnL(N3)2 complex 50

    2-17- Synthesis of CdL(N3)2 complex 51

    2-18- Synthesis of HgL(N3)2 complex 51

    2-19- Biology investigations. 52

    2-19-1- Sterilization of equipment. 52

    2-19-2- Preparation of agar culture medium and broth. 53

    2-19-3- Bacteria culture. 53

    20-2- Tests to check antibacterial properties. 53

    2-20-1- Disc release method. 53

    2-20-2-Measurement of minimum growth inhibitory concentration (MIC) 54

    2-20-3-Measurement of minimum bactericidal concentration (MBC) 54

    2-21- Antifungal properties test. 54

    2-21-1- Disc release method. 55

    2-22- Electrochemical investigation of ligand and complexes 55

    2-23- Thermal investigation of ligand and zinc complexes. 55

    2-24- Investigating the morphology of zinc azide, cadmium chloride and mercury bromide complex.55

    Chapter 3 discussion and conclusion

    3-1- Introduction. 57

    3-2- Examining the infrared (IR) spectra of ligand L. 57

    3-2-1- Infrared spectra of Zn(II) complexes 58

    3-2-2- Infrared spectra of Cd(II) complexes 59

    3-2-3- Infrared spectra of Hg(II) complexes 60

    3-3- Investigation of nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR. 60

    3-3-1- Nuclear magnetic resonance spectrum, 1H-NMR and 13C-NMR related to the bidentate Schiff base ligand N,N- bis((E)-2-nitrophenylallylidene)-2 and 2-dimethyl-1,3-diaminepropane(L) 60

    3-3-2- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of ZnLCl2 complex 61

    3-3-3- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of ZnLBr2 complex 63

    3-3-4- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of ZnLI2 complex 63

    3-3-5- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of ZnL(NCS)2 64 complex

    3-3-6- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of ZnL(N3)2 complex 65

    3-3-7- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of CdLCl2 complex 66

    3-3-8- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of CdLBr2 complex 67

    3-3-9- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of CdLI2 complex 68

    3-3-10- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of CdL(NCS)2 complex 69

    3-3-11- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of CdL(N3)2 complex 70

    3-3-12- Magnetic resonance spectra Core, 1H-NMR and 13C-NMR of HgLCl2 complex 71

    3-3-13- Magnetic resonance spectra of core, 1H-NMR and 13C-NMR of HgLBr2 complex 72

    3-3-14- Core magnetic resonance spectra, 1H-NMR and 13C-NMR of complex HgLI2 72

    3-3-15- Nuclear magnetic resonance spectra, 1H-NMR and 13C-NMR of HgL(SCN)2 complex 73

    3-3-16- Nuclear magnetic resonance spectrum, 1H-NMR and 13C-NMR of HgL(N3)2 complex 74

    3-4- Review UV-Vis electron spectra. 75

    3-5- elemental analysis. 76

    3-6- Examining molar conductivities. 77

    3-7- Examining antibacterial properties. 78

    3-7-1- Examining the antibacterial properties of LigandL. 79

    3-7-2- Examining the antibacterial properties of ZnLCl2 complex 79

    3-7-3- Examining the antibacterial properties of ZnLBr2 complex 79

    3-7-4- Examining the antibacterial properties of ZnLI2 complex 79

    3-7-5- Examining the antibacterial properties of ZnL(NCS)2 complex 79

    3-7-6- Investigating the antibacterial properties of ZnL(N3)2 80 complex

    3-7-7- Investigating the antibacterial properties of CdLCl2 80 complex

    3-7-8- Investigating the antibacterial properties of CdLBr2 80 complex

    3-7-9- Investigating the antibacterial properties of CdLI2 80 complex

    3-7-10- Investigating the antibacterial properties of CdL(NCS)2 complex 80

    3-7-11- Investigating the antibacterial properties of CdL(N3)2 complex 81

    3-7-12- Investigating the antibacterial properties of HgLCl2 complex 81

    3-7-13- Investigating the antibacterial properties of HgLBr2 complex 81

    3-7-14- Investigating the antibacterial properties of HgLI2 complex 81

    3-7-15- Investigating the antibacterial properties of HgL(SCN)2 complex 81

    3-7-16- Investigating the antibacterial properties of HgL(N3)2 complex 81

    3-8- Investigating the antifungal properties. 85

    3-8-1- Checking the antifungal properties of ligand L. 85

    3-8-2- Checking the antifungal properties of ZnLCl2 86

    3-8-3- Checking the antifungal properties of ZnLBr2 86

    3-8-4- Checking the antifungal properties of ZnLI2 86

    3-8-5- Checking the antifungal properties Fungal ZnL(NCS)2 86

    3-8-6- Checking the antifungal properties of ZnL(N3)2 86

    3-8-7- Checking the antifungal properties of CdLCl2 86

    3-8-8- Checking the antifungal properties of CdLBr2 87

    3-8-9- Checking the antifungal properties of CdLI2 87

    3-8-10- Check the antifungal properties of CdL(NCS)2 87

    3-8-11- Check the antifungal properties of CdL(N3)2 87

    3-8-12- Check the antifungal properties of HgLCl2 87

    3-8-13- Check the antifungal properties of HgLBr2 87

    3-8-14- Check the antifungal properties Fungal HgLI2 88

    3-8-15- Checking the antifungal properties of HgL(SCN)2 88

    3-8-16- Checking the antifungal properties of HgL(N3)2 88

    3-9- Thermal decomposition. 90

    3-9-1-1- Investigating the thermal decomposition of the ligand. 91

    3-9-1-2- Investigating thermal decomposition of ZnLBr2 complex 91

    3-9-2- Determination of kinetic parameters using TG diagrams. 92

    3-10- Examination of electrochemistry results.

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