Titre :	Design and Study of the Physical Properties of New Magnetic and/or Luminescent Molecular Materials
Type de document :	document électronique
Auteurs :	Yaakoub Saadallah, Auteur ; Fatima Setifi, Directeur de thèse
Editeur :	Sétif:UFA1
Année de publication :	2025
Importance :	1 vol (168 f.)
Format :	29 cm
Langues :	Anglais (eng)
Catégories :	Thèses & Mémoires:Chimie
Mots-clés :	triazole DFT Spin-crossover SMM Corrosion inhibitor X-ray diffraction
Index. décimale :	204- chimie
Résumé :	This thesis explores multifunctional materials based on 1,2,4-triazole-derived Schiff base ligands and their transition metal complexes, with a particular focus on corrosion inhibition and magnetic properties. Notably, the synthesized ligands exhibited remarkable corrosion inhibition for XC48 CS in acidic media, achieving efficiencies up to 80.00%. To understand this behavior, structure-property relationships were elucidated, highlighting the importance of molecular design in achieving effective protection. Furthermore, a series of novel mono- and binuclear complexes, along with coordination polymers, were synthesized using Cu(II), Co(II), Ni(II), and Fe(II) ions. Detailed structural insights into these complexes were obtained through X-ray diffraction studies. Importantly, magnetic studies revealed a diverse range of behaviors, including antiferromagnetism, slow magnetic relaxation characteristic of SMM behavior, and SCO. Moreover, DFT calculations supported the experimental findings, providing further insight into the electronic structure and reactivity of these compounds.
Note de contenu :	Sommaire General Introduction ................................................................................................................................. 1 Chapter I. Literature Review I.1 Spin crossover phenomenon ................................................................................................................. 6 I.1.1 History and Foundation of Spin Crossover Complexes .................................................................... 6 I.1.2 Relevant Theories and Frameworks ................................................................................................. 7 I.1.3 The Different spin transition behaviors .......................................................................................... 13 I.1.4 Limitations or Gaps in Prior Research ............................................................................................ 15 I.1.5 Effects of External Stimuli on Spin Crossover Complexes ............................................................ 16 I.1.6 Single Molecule Magnets and Slow Relaxation ............................................................................. 26 I.1.7 Schiff Base Ligands in Spin Crossover Research ........................................................................... 29 I.1.8 Applications of Spin Crossover Complexes and Materials............................................................. 30 I.2 corrosion inhibitors ............................................................................................................................. 31 I.2.1 introduction on corrosion and protection ........................................................................................ 31 I.2.2 history of corrosion inhibition ........................................................................................................ 31 I.2.3 Definition of Corrosion Inhibitors .................................................................................................. 32 I.2.4 Conditions of Use ........................................................................................................................... 33 I.2.5 Key Factors for Inhibitor Utilization and Performance .................................................................. 33 I.2.6 Common Industrial Uses ................................................................................................................ 34 I.2.7 Classification of corrosion inhibitors .............................................................................................. 34 I.2.8 Influence of Concentration on the Inhibitory Effect ....................................................................... 47 I.2.9 Influence of Temperature on Corrosion Inhibition ......................................................................... 50 References ................................................................................................................................................. 53 Chapter II. experimental conditions â…¡.1 Introduction ......................................................................................................................................... 69 II.2 Structure and Synthesis of the Studied Compounds ............................................................................ 69 II.3 Electrochemical characterization techniques ....................................................................................... 71 II.3.1 Working electrode preparation ...................................................................................................... 71 II.3.2 Description of Electrochemical Cells ............................................................................................ 72 II.4 Weight loss measurements ................................................................................................................... 73 II.5 Quantum chemical calculations ........................................................................................................... 74 Chapter III. Study of the Corrosion Inhibition of XC48 Carbon Steel by Triazole Based Compounds in 1M HCl Acid Medium III.1 Introduction ..................................................................................................................................... 76 III.2 Gravimetric analysis ........................................................................................................................ 76 III.3 Electrochemical study ...................................................................................................................... 78 III.3.1 Concentration effect ..................................................................................................................... 78 III.3.1.1 Monitoring of Corrosion Potential Over Time ...................................................................... 78 III.3.1.2 Potentiodynamic polarization ............................................................................................... 79 III.3.1.3 Electrochemical impedance spectroscopy (EIS) ................................................................... 82 III.3.2 Study of the effect of temperature measured by potentiometry and electrochemical impedance spectroscopy ........................................................................................................................................... 88 III.4 Surface analysis by scanning electron microscopy (SEM) ............................................................ 93 III.5 Quantum chemical calculation ........................................................................................................ 95 III.6 Corrosion inhibition mechanism……………………………………………………..…………..101 conclusion ............................................................................................................................................... 102 References ............................................................................................................................................... 103 Chapter IV. Design and Synthesis of 1,2,4-Triazole-Based Schiff Base Ligands: Unveiling Novel Coordination Complexes with Transition Metals IV.1 Introduction .................................................................................................................................... 110 IV.2 Ligand Synthesis ............................................................................................................................. 110 IV.2.1 X-Ray Diffraction Analysis ........................................................................................................ 110 IV.3 Coordination Chemistry: Preparation of Transition Metal Complexes Co (II), Ni (II), Fe (II) and Cu (II) .............................................................................................................................................. 117 IV.3.1 Mononuclear Cu (II) Complexes ................................................................................................ 117 IV.3.2 Structural Properties of Binuclear Complexes of Ni(II), Co(II), and Fe(II) ............................... 119 IV.3.2.1 Ligand Trz-D ....................................................................................................................... 119 IV.3.2.2 Ligand Trz-E ....................................................................................................................... 119 IV.3.2.3 Ligand Trz-A ....................................................................................................................... 127 IV.3.3 Coordination Polymers of Cu(II) and Co(II) Complexes ........................................................... 132 IV.3.3.1 One-Dimensional Coordination Polymer of the Complex [Co(dca)4(Trz-E)2].MeOH ....... 132 IV.3.3.2 Two-Dimensional Coordination Polymers of Cu(II) Complexes ........................................ 134 conclusion ............................................................................................................................................... 148 References ............................................................................................................................................... 149
Côte titre :	Dch/0039

Design and Study of the Physical Properties of New Magnetic and/or Luminescent Molecular Materials [document électronique] / Yaakoub Saadallah, Auteur ; Fatima Setifi, Directeur de thèse . - [S.l.] : Sétif:UFA1, 2025 . - 1 vol (168 f.) ; 29 cm.
Langues : Anglais (eng)

Catégories :	Thèses & Mémoires:Chimie
Mots-clés :	triazole DFT Spin-crossover SMM Corrosion inhibitor X-ray diffraction
Index. décimale :	204- chimie
Résumé :	This thesis explores multifunctional materials based on 1,2,4-triazole-derived Schiff base ligands and their transition metal complexes, with a particular focus on corrosion inhibition and magnetic properties. Notably, the synthesized ligands exhibited remarkable corrosion inhibition for XC48 CS in acidic media, achieving efficiencies up to 80.00%. To understand this behavior, structure-property relationships were elucidated, highlighting the importance of molecular design in achieving effective protection. Furthermore, a series of novel mono- and binuclear complexes, along with coordination polymers, were synthesized using Cu(II), Co(II), Ni(II), and Fe(II) ions. Detailed structural insights into these complexes were obtained through X-ray diffraction studies. Importantly, magnetic studies revealed a diverse range of behaviors, including antiferromagnetism, slow magnetic relaxation characteristic of SMM behavior, and SCO. Moreover, DFT calculations supported the experimental findings, providing further insight into the electronic structure and reactivity of these compounds.
Note de contenu :	Sommaire General Introduction ................................................................................................................................. 1 Chapter I. Literature Review I.1 Spin crossover phenomenon ................................................................................................................. 6 I.1.1 History and Foundation of Spin Crossover Complexes .................................................................... 6 I.1.2 Relevant Theories and Frameworks ................................................................................................. 7 I.1.3 The Different spin transition behaviors .......................................................................................... 13 I.1.4 Limitations or Gaps in Prior Research ............................................................................................ 15 I.1.5 Effects of External Stimuli on Spin Crossover Complexes ............................................................ 16 I.1.6 Single Molecule Magnets and Slow Relaxation ............................................................................. 26 I.1.7 Schiff Base Ligands in Spin Crossover Research ........................................................................... 29 I.1.8 Applications of Spin Crossover Complexes and Materials............................................................. 30 I.2 corrosion inhibitors ............................................................................................................................. 31 I.2.1 introduction on corrosion and protection ........................................................................................ 31 I.2.2 history of corrosion inhibition ........................................................................................................ 31 I.2.3 Definition of Corrosion Inhibitors .................................................................................................. 32 I.2.4 Conditions of Use ........................................................................................................................... 33 I.2.5 Key Factors for Inhibitor Utilization and Performance .................................................................. 33 I.2.6 Common Industrial Uses ................................................................................................................ 34 I.2.7 Classification of corrosion inhibitors .............................................................................................. 34 I.2.8 Influence of Concentration on the Inhibitory Effect ....................................................................... 47 I.2.9 Influence of Temperature on Corrosion Inhibition ......................................................................... 50 References ................................................................................................................................................. 53 Chapter II. experimental conditions â…¡.1 Introduction ......................................................................................................................................... 69 II.2 Structure and Synthesis of the Studied Compounds ............................................................................ 69 II.3 Electrochemical characterization techniques ....................................................................................... 71 II.3.1 Working electrode preparation ...................................................................................................... 71 II.3.2 Description of Electrochemical Cells ............................................................................................ 72 II.4 Weight loss measurements ................................................................................................................... 73 II.5 Quantum chemical calculations ........................................................................................................... 74 Chapter III. Study of the Corrosion Inhibition of XC48 Carbon Steel by Triazole Based Compounds in 1M HCl Acid Medium III.1 Introduction ..................................................................................................................................... 76 III.2 Gravimetric analysis ........................................................................................................................ 76 III.3 Electrochemical study ...................................................................................................................... 78 III.3.1 Concentration effect ..................................................................................................................... 78 III.3.1.1 Monitoring of Corrosion Potential Over Time ...................................................................... 78 III.3.1.2 Potentiodynamic polarization ............................................................................................... 79 III.3.1.3 Electrochemical impedance spectroscopy (EIS) ................................................................... 82 III.3.2 Study of the effect of temperature measured by potentiometry and electrochemical impedance spectroscopy ........................................................................................................................................... 88 III.4 Surface analysis by scanning electron microscopy (SEM) ............................................................ 93 III.5 Quantum chemical calculation ........................................................................................................ 95 III.6 Corrosion inhibition mechanism……………………………………………………..…………..101 conclusion ............................................................................................................................................... 102 References ............................................................................................................................................... 103 Chapter IV. Design and Synthesis of 1,2,4-Triazole-Based Schiff Base Ligands: Unveiling Novel Coordination Complexes with Transition Metals IV.1 Introduction .................................................................................................................................... 110 IV.2 Ligand Synthesis ............................................................................................................................. 110 IV.2.1 X-Ray Diffraction Analysis ........................................................................................................ 110 IV.3 Coordination Chemistry: Preparation of Transition Metal Complexes Co (II), Ni (II), Fe (II) and Cu (II) .............................................................................................................................................. 117 IV.3.1 Mononuclear Cu (II) Complexes ................................................................................................ 117 IV.3.2 Structural Properties of Binuclear Complexes of Ni(II), Co(II), and Fe(II) ............................... 119 IV.3.2.1 Ligand Trz-D ....................................................................................................................... 119 IV.3.2.2 Ligand Trz-E ....................................................................................................................... 119 IV.3.2.3 Ligand Trz-A ....................................................................................................................... 127 IV.3.3 Coordination Polymers of Cu(II) and Co(II) Complexes ........................................................... 132 IV.3.3.1 One-Dimensional Coordination Polymer of the Complex [Co(dca)4(Trz-E)2].MeOH ....... 132 IV.3.3.2 Two-Dimensional Coordination Polymers of Cu(II) Complexes ........................................ 134 conclusion ............................................................................................................................................... 148 References ............................................................................................................................................... 149
Côte titre :	Dch/0039