Physicochemical Aspects of Metal-Organic Frameworks: A New Class of Coordinative Materials

Preface
Contents
About the Editors
Overview of Metal Organic Frameworks
	1 Introduction
	2 Chemical Composition
	3 Porosity
	4 Metal Biomolecule Frameworks (Bio-MOFs)
	5 MOFs Synthesis
	6 Conclusion
	References
Classification of the MOFs Based on the Secondary Building Units (SBUs)
	1 Introduction
	2 MOFs with Their Secondary Building Units
		2.1 Ti-Base MOFs
		2.2 Zr-Based MOFs
		2.3 Sc-Based MOFs
		2.4 Mn-Based MOFs
		2.5 Alkali Metal-Based MOFs
	3 Conclusion
	References
MOFs Preparation and Synthetic Approaches
	1 New Synthetic Approaches to Provide Metal–Organic Frameworks
	2 Ionothermal Method
	3 Deep Eutectic Solvent Usage
	4 Surfactant-Thermal process
	5 Mechanochemistry
	6 MOFs Synthetic Approaches and Potential Usage
	7 Synthesis of MOFs
	8 The Synthetic Strategies of 2D-MOFs
	9 D-Metal Organic Frameworks
	10 Synthetic Methods of 2D-MOFs
	11 Langmuir–Blodgett Technique
	12 Sonication Exfoliation Method
	13 Mechanical Exfoliation Method
	14 Modulated Strategy
	References
MOFs Functionalization Approaches
	1 Introduction
	2 Functionalization of MOFs Produces Unique Materials with Multiple Properties for Different Applications
		2.1 Functionalization of MOF for Producing Photoactive Materials
		2.2 Functionalization of MOFs in Drug Delivery
		2.3 Functionalization of MOF for Catalytic Applications
		2.4 Functionalization of MOF for Removal of HG2+
		2.5 Functionalization of MOF as Phase Transfer Catalyst
		2.6 Functionalization of MOF for Sensitive Fluorescent Probe of S2O82− and Fe3+
		2.7 Functionalization of MOF for CO2 Adsorption
	3 Conclusion
	References
MOFs Structural Morphologies
	1 Solvent Effect
	2 PH Effect
	3 Effect of Metal Ions
	4 Time Effect
	5 Additive Effect
	6 Effect of Synthesis Method
		6.1 Synthesis of Deprotonation Regulation
		6.2 Synthesis of Coordinate Modulation
	7 Temperature Effect
	8 Effect of Molar Ratio of Reactants
	9 Conclusion
	References
MOFs Bandstructure
	1 Semiconducting MOFs
	2 Band Gap Investigation
	3 Band Energy Values (in Electronvolts) Calculated from Periodic Systems and Linker Molecules
	4 Semiconductor Metal–Organic Framework (MOF) Photocatalyst
	5 The Band Gap Value of Different Linkers of MOFs
	References
Evolution in MOF Porosity, Modularity, and Topology
	1 Introduction
	2 Porosity of MOFs
		2.1 Surface Area and Distribution of Size and Volume of Pores
		2.2 Methods for Porous MOF Designing
		2.3 Controlling Porosity Using Isoreticular Expansion and/or Contraction
	3 Topology
	4 Conclusion
	References
MOF Scaffolds Tunability and Flexibility
	1 Tunable Nanomicrostructure
		1.1 Tunable Mechanical Properties
		1.2 Morphologically tunable
	2 Flexibility
		2.1 Temperature and Gust Molecules Affect Flexibility
		2.2 Flexible MOF Nanorod
		2.3 Flexible MOF-Aminoclay Nanocomposites
	References
MOF Scaffolds Defects and Disorders
	1 Introduction
	2 Structural Defect Generation in MOFs
		2.1 De Novo Synthesis
		2.2 Post-synthetic Modification
	3 Defect Characterization in MOFs
	4 Applications of Defective MOFs
		4.1 Applications in Gas Adsorption and Separation
		4.2 Applications in Catalysis
		4.3 Decontamination Applications
		4.4 Bio-Applications
		4.5 Smart Applications
	5 Conclusion and Future Prospects
	References
Composition States of MOFs
	1 Introduction
	2 Generation of Basic Sites
	3 MOFs with Intrinsic Basicity
		3.1 Basicity from Alkaline Earth Metal Sites
		3.2 Basicity from Hybrid Metal Nodes
		3.3 Basicity from N-Containing Ligands
		3.4 Basicity from Structural Phenolates
	4 MOFs with Modified Basicity
		4.1 Functionalization of Metal Sites
		4.2 Functionalization of Ligands
	References
Identification and Analytical Approaches
	1 Fourier Transform Infrared (FT-IR)
	2 Energy Dispersive X-ray (EDS)
	3 Dynamic Light Scattering (DLS)
	4 Scanning Electron Microscopy (SEM)
	5 Transmission Electron Microscopy (TEM)
	6 Brunauer–Emmett–Teller (BET)
	7 X-Ray Diffraction (XRD)
	8 Thermogravimetric Analysis (TGA)
	References
Coordination Chemistry of MOFs
	1 Molecular Orbital
		1.1 Ionic Size and Crystal Environment
		1.2 Metal–Ligand Bonds
	2 Synthesis of Coordination Compounds
		2.1 The Reaction of a Metal Salt with a Ligand
		2.2 Ligand Replacement Reactions
		2.3 The Reaction of Two Metal Compounds
		2.4 Oxidation–Reduction Reactions
		2.5 Partial Decompositions
		2.6 Precipitation Making Use of the Hard-Soft Interaction Principle
		2.7 Reactions of Metal Compounds with Amine Salts
	3 Coordination in MOFs
		3.1 The Charge Density
		3.2 Thermal Stability
		3.3 Chemical Stability
	References
Applications of MOFs
	1 Catalysts and Photocatalysts
		1.1 Introduction
		1.2 MOF Catalyst Modifications
		1.3 Possible Routes and Syntheses
		1.4 Physical–chemical Property Modification
		1.5 Modification of Morphology
		1.6 Modifying of Metal Ions and Ligands
		1.7 Defect Engineering
		1.8 Functional Modification
	2 Optics
		2.1 Introduction
		2.2 Photonic MOF Enterprise and Manufacturing Strategies
		2.3 MOFs for Luminescent Sensors
		2.4 MOFs for Lighting and Info Display in Solid-State
	3 Sensors and Biosensors
	4 Batteries and Supercapacitors
		4.1 Introduction
		4.2 MOFs as Electrode Materials
		4.3 MOFs as Host Material for Li–O2, Zn–air, Li–S, and Li–Se Batteries
		4.4 Supercapacitors
	5 Solar Cells
		5.1 Introduction
		5.2 Generation of Solar Cells
		5.3 Perovskite Solar Cells
		5.4 Effects of MOF on Perovskite Solar Cells
	6 Fuel Cells
		6.1 Introduction
		6.2 H2 Production from Water Splitting Using MOFs
		6.3 H2 Production from Ammonia Borane Andorganosilanes Using MOFs
		6.4 MOFs as Oxygen Reduction Reaction Catalysts
		6.5 MOFs as Proton-Conducting Polymer Electrolyte Membranes
		6.6 MOFs as H2 Storage Medium
	7 Energy Storage and Conversion
	8 Molecular Transport
	9 CO2 and N2 Reduction
		9.1 Introduction
		9.2 MOFs that Have not Been Changed
		9.3 Linker Modification of MOFs
		9.4 Amine Functionalization
	10 Water and Alcohol Oxidation
		10.1 Alcohol Oxidation
		10.2 Water Oxidation
	11 Water Electrolysis and Splitting
	12 Environmental Remediation
		12.1 Degradation of Organic Dyes
	13 Environmental Contaminants Adsorption
	14 Environmental Contaminants Degradation
	15 Membranes
		15.1 Introduction
		15.2 Advanced MOF Materials for Mixed Matrix Membranes
		15.3 MOF Glasses for Membranes
		15.4 Neat MOF Membranes
	16 Separation
		16.1 The Requirement for Energy-Effectual Gas Separations
		16.2 Current and Emerging Technologies for Gas Separations
		16.3 Existing Status of Membrane-Constructed Gas Separations
		16.4 MOF as an Adsorbent
	17 Drug Delivery
		17.1 Introduction
		17.2 Functionalization for Drug Delivery
		17.3 Applications in Drug Delivery
	18 Antibacterial and Antimicrobial Scaffolds
	19 Tissue Engineering
		19.1 Introduction
		19.2 Physiology of Bone Healing
		19.3 Applications of Nano-MOFs in Bone Tissue Engineering
	20 Wound Healing
		20.1 Physiology of Wound Healing
		20.2 Applications of Nano-MOFs in Wound Healing
	References
Industrialization of MOFs
	1 Introduction
	2 MOFs from Academia to Industrial Applications
	3 Industrial Synthetic Routes of MOFs
		3.1 Microwave Synthesis
		3.2 Continuous Flow Chemistry
		3.3 Electrochemical Synthesis
		3.4 Mechanochemistry Synthesis
		3.5 Ultrasonic Synthesis
		3.6 Supercritical CO2
		3.7 Solvothermal/Hydrothermal
	4 Conclusions
	References
Computational Studies
	1 Introduction
	2 Enhancement of Computational Approaches and MOF’s Conceptions
		2.1 Atomic Partial Charge Estimation
		2.2 Extended Charge Equilibration Approach
	3 Conclusion
	References
Future Outlook
	References
Conclusion
	1 Synthetic Work Focusing on Metal-Containing Nodes or Coordination Bonds
	2 Ligand Design and Post-synthetic Modification on Linkers
	3 Symmetry-Guided Synthesis and Structural Characterization of MOFs from Micro-, Meso- to Macro-scale
	4 MOF Interdisciplinary Research
	5 Potential Application of MOFs
	References