Discovering the Future of Molecular Sciences -- Contents -- Preface -- List of Contributors -- Part I Advanced Methodologies -- Chapter 1 Supramolecular Receptors for the Recognition of Bioanalytes -- 1.1 Introduction -- 1.2 Bioanalytes -- 1.3 Metal Complexes as Receptors for Biological Phosphates -- 1.3.1 Fluorescent Zn(II) Based Metal Complexes and Their Applications in Live Cell Imaging -- 1.3.2 Chromogenic Zn(II)-Based Metal Receptors and Their Applications in Biological Cell Staining -- 1.4 Functionalized Vesicles for the Recognition of Bioanalytes -- 1.4.1 Polydiacetylene Based Chromatic Vesicles -- 1.4.1.1 PDA Based Receptors for Biological Phosphate -- 1.4.1.2 PDA Based Receptors for Lipopolysaccharide -- 1.4.1.3 PDA Based Receptors for Oligonucleotides and Nucleic Acids -- 1.5 Boronic Acid Receptors for Diol-Containing Bioanalytes -- 1.6 Conclusion and Outlook -- Acknowledgment -- References -- Chapter 2 Methods of DNA Recognition -- 2.1 Introduction -- 2.2 Historical Outline: The Central Dogma -- 2.3 Intermolecular Interaction between the Transcription Factors and the DNA -- 2.3.1 The Structure of DNA and Its Role in the Recognition -- 2.3.2 DNA Binding Domains of the TF -- 2.3.3 General Aspects of the Intermolecular Interactions between the TFs and the DNA -- 2.4 Miniature Versions of Transcription Factors -- 2.4.1 Synthetic Modification of bZIP Transcription Factors -- 2.4.2 Residue Grafting -- 2.4.3 Conjugation in Order to Develop DNA Binding Peptides -- 2.5 Intermolecular Interaction Between Small Molecules and the DNA -- 2.5.1 General Concepts -- 2.5.2 Metallo-DNA Binders: From Cisplatin to Rh Metallo-Insertors -- 2.5.3 Polypyrroles and Bis(benzamidine) Minor Groove Binders and Their Use as Specific dsDNA Sensors -- 2.6 Outlook -- Acknowledgments -- References.

Chapter 3 Structural Analysis of Complex Molecular Systems by High-Resolution and Tandem Mass Spectrometry -- 3.1 Dissecting Molecular Complexity with Mass Spectrometry -- 3.2 Advances in Fourier Transform Mass Spectrometry -- 3.3 Advances in Mass Analyzers for FT-ICR MS -- 3.4 Advances in Mass Analyzers for Orbitrap FTMS -- 3.5 Applications of High-Resolution Mass Spectrometry -- 3.6 Advances in Tandem Mass Spectrometry -- 3.7 Outlook: Quo vadis FTMS? -- 3.8 Summary and Future Issues -- Acknowledgments -- References -- Chapter 4 Coherent Electronic Energy Transfer in Biological and Artificial Multichromophoric Systems -- 4.1 Introduction to Electronic Energy Transfer in Complex Systems -- 4.2 The Meaning of Electronic Coherence in Energy Transfer -- 4.3 Energy Migration in Terms of Occupation Probability: a Unified Approach -- 4.4 Experimental Detection of Quantum Coherence -- 4.5 Electronic Coherence Measured by Two-Dimensional Photon Echo -- 4.6 Future Perspectives and Conclusive Remarks -- Acknowledgments -- References -- Chapter 5 Ultrafast Studies of Carrier Dynamics in Quantum Dots for Next Generation Photovoltaics -- 5.1 Introduction -- 5.2 Theoretical Limits -- 5.3 Bulk Semiconductors -- 5.4 Semiconductor Quantum Dots -- 5.4.1 Lead Chalcogenides -- 5.5 Carrier Dynamics -- 5.5.1 Carrier Multiplication -- 5.5.2 Relaxation -- 5.6 Ultrafast Techniques -- 5.6.1 Pump-Probe -- 5.6.2 Photoluminescence -- 5.6.3 Relaxation Times -- 5.7 Quantum Efficiency -- 5.7.1 Quantum Yield Arguments -- 5.7.2 Experimental Considerations -- 5.8 Ligand Exchange and Film Studies -- 5.9 Conclusions -- Acknowledgments -- References -- Chapter 6 Micro Flow Chemistry: New Possibilities for Synthetic Chemists -- 6.1 Introduction -- 6.2 Characteristics of Micro Flow - Basic Engineering Principles.

6.2.1 Mass Transfer - the Importance of Efficient Mixing -- 6.2.2 Heat Transfer - the Importance of Efficient Heat Management -- 6.2.3 Multiphase Flow -- 6.3 Unusual Reaction Conditions Enabled by Microreactor Technology -- 6.3.1 High-Temperature and High-Pressure Processing -- 6.3.2 Use of Hazardous Intermediates - Avoiding Trouble -- 6.3.3 Photochemistry -- 6.4 The Use of Immobilized Reagents, Scavengers, and Catalysts -- 6.5 Multistep Synthesis in Flow -- 6.6 Avoiding Microreactor Clogging -- 6.7 Reaction Screening and Optimization Protocols in Microreactors -- 6.8 Scale-Up Issues - from Laboratory Scale to Production Scale -- 6.9 Outlook -- References -- Chapter 7 Understanding Trends in Reaction Barriers -- 7.1 Introduction -- 7.2 Activation Strain Model and Energy Decomposition Analysis -- 7.2.1 Activation Strain Model -- 7.2.2 Energy Decomposition Analysis -- 7.3 Pericyclic Reactions -- 7.3.1 Double Group Transfer Reactions -- 7.3.2 Alder-ene Reactions -- 7.3.3 1,3-Dipolar Cycloaddition Reactions -- 7.3.4 Diels-Alder Reactions -- 7.4 Nucleophilic Substitutions and Additions -- 7.4.1 SN2 Reactions -- 7.4.2 Nucleophilic Additions to Arynes -- 7.5 Unimolecular Processes -- 7.6 Concluding Remarks -- Acknowledgments -- References -- Part II Materials, Nanoscience, and Nanotechnologies -- Chapter 8 Molecular Metal Oxides: Toward a Directed and Functional Future -- 8.1 Introduction -- 8.2 New Technologies and Analytical Techniques -- 8.3 New Synthetic Approaches -- 8.3.1 The Building Block Approach -- 8.3.2 Generation of Novel Building Block Libraries -- 8.3.2.1 Shrink-Wrapping Effect -- 8.3.2.2 Hydrothermal and Ionic Thermal Synthesis -- 8.3.2.3 Novel Templates: XO3 and XO6-Templated POMs -- 8.3.3 POM-Based Networks -- 8.4 Continuous Flow Systems and Networked Reactions -- 8.5 3D Printing Technology.

8.6 Emergent Properties and Novel Phenomena -- 8.6.1 Porous Keplerate Nanocapsules - Chemical Adaptability -- 8.6.2 Transformation of POM Structures at Interfaces - Molecular Tubes and Inorganic Cells -- 8.6.3 Controlled POM-Based Oscillations -- 8.7 Conclusions and Perspectives -- References -- Chapter 9 Molecular Metal Oxides for Energy Conversion and Energy Storage -- 9.1 Introduction to Molecular Metal Oxide Chemistry -- 9.1.1 Polyoxometalates - Molecular Metal Oxide Clusters -- 9.1.2 Principles of Polyoxometalate Redox Chemistry -- 9.1.3 Principles of Polyoxometalate Photochemistry -- 9.1.4 POMs for Energy Applications -- 9.2 POM Photocatalysis -- 9.2.1 The Roots of POM-Photocatalysis Using UV-light -- 9.2.2 Sunlight-Driven POM Photocatalysts -- 9.2.2.1 Structurally Adaptive Systems for Sunlight Conversion -- 9.2.2.2 Optimized Sunlight Harvesting by Metal Substitution -- 9.2.2.3 Visible-Light Photocatalysis - Inspiration from the Solid-State World -- 9.2.3 Future Development Perspectives for POM Photocatalysts -- 9.3 Energy Conversion -- 9.3.1 Water Splitting -- 9.3.2 Water Oxidation by Molecular Catalysts -- 9.3.2.1 Water Oxidation by Ru- and Co-Polyoxometalates -- 9.3.2.2 Polyoxoniobate Water Splitting -- 9.3.2.3 Water Oxidation by Dawson Anions in Ionic Liquids -- 9.3.2.4 On the Stability of Molecular POM-WOCs -- 9.3.3 Photoreductive H2-Generation -- 9.3.4 Photoreductive CO2-Activation -- 9.4 Promising Developments for POMs in Energy Conversion and Storage -- 9.4.1 Ionic Liquids for Catalysis and Energy Storage -- 9.4.1.1 Polyoxometalate Ionic Liquids (POM-ILs) -- 9.4.1.2 Outlook: Future Applications of POM-ILs -- 9.4.2 POM-Based Photovoltaics -- 9.4.3 POM-Based Molecular Cluster Batteries -- 9.5 Summary -- References.

Chapter 10 The Next Generation of Silylene Ligands for Better Catalysts -- 10.1 General Introduction -- 10.1.1 Silylenes -- 10.1.2 Bissilylenes -- 10.1.3 Silylene Transition Metal Complexes -- 10.2 Synthesis and Catalytic Applications of Silylene Transition Metal Complexes -- 10.2.1 Bis(silylene)titanium Complexes -- 10.2.2 Bis(silylene)nickel Complex -- 10.2.3 Pincer-Type Bis(silylene) Complexes (Pd, Ir, Rh) -- 10.2.4 Bis(silylenyl)-Substituted Ferrocene Cobalt Complex -- 10.2.5 Silylene Iron Complexes -- 10.3 Conclusion and Outlook -- References -- Chapter 11 Halide Exchange Reactions Mediated by Transition Metals -- 11.1 Introduction -- 11.2 Nickel-Based Methodologies for Halide Exchanges -- 11.3 Recent Advances in Palladium-Catalyzed Aryl Halide Exchange Reactions -- 11.4 The Versatility of Copper-Catalyzed Aryl Halide Exchange Reactions -- 11.5 Conclusions and Perspectives -- References -- Chapter 12 Nanoparticle Assemblies from Molecular Mediator -- 12.1 Introduction -- 12.2 Assembly or Self-assembly -- 12.3 Nanoparticles and Their Protection against Aggregation or Agglomeration -- 12.3.1 Finite-Size Objects -- 12.3.2 Protection against Aggregation -- 12.4 Nanoparticle Assemblies Synthesis Methods -- 12.4.1 Interligand Bonding -- 12.4.1.1 Noncovalent Linker Interactions and Self-assembly -- 12.4.1.2 Covalent Molecular Mediators -- 12.4.1.3 Noncovalent versus Covalent Interaction -- 12.4.2 Template Assisted Synthesis -- 12.4.3 Deposition of 2D Nanoparticle Assemblies: Monolayers, Multilayers, or Films -- 12.4.3.1 Layer-by-Layer Deposition -- 12.4.3.2 Langmuir-Blodgett Deposition -- 12.4.3.3 Evaporation Induced Assembly -- 12.4.3.4 Bubble Deposition -- 12.4.4 Pressure-Driven Assembly -- 12.5 Applications of Nanoparticle Assemblies -- 12.5.1 Plasmonics -- 12.5.1.1 Plasmonic Nanostructures -- 12.5.1.2 Sensoric.

12.5.1.3 Signal Amplification/Surface-Enhanced Raman Scattering.