Hydrogen Bonding and Transfer in the Excited State, 2 Volume Set

by Han, Ke-Li; Zhao, Guang-Jiu

• ISBN13: 9780470666777
• ISBN10: 0470666773
• Edition: 1st
• Format: Hardcover
• Copyright: 2010-12-01
• Publisher: Wiley

Summary

This book gives an extensive description of the stateoftheart in research on excitedstate hydrogen bonding and hydrogen transfer in recent years. Initial chapters present both the experimental and theoretical investigations on the excitedstate hydrogen bonding structures and dynamics of many organic and biological chromophores. Following this, several chapters describe the influences of the excitedstate hydrogen bonding on various photophysical processes and photochemical reactions, for example: hydrogen bonding effects on fluorescence emission behaviors and photoisomerization; the role of hydrogen bonding in photosynthetic water splitting; photoinduced electron transfer and solvation dynamics in room temperature ionic liquids; and hydrogen bonding barrier crossing dynamics at biomimicking surfaces. Finally, the book examines experimental and theoretical studies on the nature and control of excitedstate hydrogen transfer in various systems. Hydrogen Bonding and Transfer in the Excited State is an essential overview of this increasingly important field of study, surveying the entire field over 2 volumes, 40 chapters and 1200 pages. It will find a place on the bookshelves of researchers in photochemistry, photobiology, photophysics, physical chemistry and chemical physics.

Author Biography

Ke-Li Han, State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China.

Guang-Jiu Zhao, State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China.

Table of Contents

Preface

List of Contributors

Vibrational Dynamics of the Hydrogen Bonds in Nucleic Acid Base Pairs

Introduction

Hydrogen Bonding and Nonlinear Infrared Spectroscopy

Correlated Vibrational Dynamics of an Adenine-Uracil Derivative in Solution

Conclusion

References

Vibrational Energy Relaxation Dynamics of XH Stretching Vibrations of Aromatic Molecules in the Electronic Excited State

Introduction

IR Spectra of 2-Naphthol and Its H-Bonded Clusters in S1 State

VER Dynamics of Bare 2-Naphthol

VER Dynamics of H-Bonded Clusters of 2-Naphthol

Comparison of the CisTrans Barrier Height between S0 and S1

Conclusion

References

The Hydrogen-Bond Basicity in the Excited State. Concept and Applications

Introduction

Experiment

Result and Discussion

Absorption and Fluorescence Spectra of the Complexed Species

Hydrogen-Bond Basicity of the Ground and Singlet Excited State

Reaction Rate of Hydrogen-Bonded Complex Formation In Excited State

Solvatochromism of DMAP and Its Singly Complexed Derivative: Estimation of the Dipole Moment of A Singlet Excited Complexes

Triplet State Properties of the Complexed Species

Summary

Acknowledgement

References

Solute–Solvent Hydrogen Bond Formation in the Excited State. Experimental and theoretical Evidences

Introduction

The Prerequisite Conditions for Hydrogen Bond Formation

Diagnosis Criteria and Quantitative Treatment of the Hydrogen Bonds

Design of the Experiments

Theoretical Modelling of the H Bonds

Conclusions

References

Electronic Excited State Structures and Properties of Hydrated Dna Bases and Base Pairs

Introduction

Ground State Structures of Nucleic Acid Bases and Base Pairs

Excited State Structures of Nucleic Acid Bases

Excited States of Base Pairs

Excited State Dynamics and Nonradiative Decays

Conclusion

Acknowledgement

References

Insight from Singlet into Triplet Excited-State Hydrogen Bonding Dynamics in Solution

Introduction

Theoretical Methods

Results and Discussions

Conclusion

Acknowledgement

References

Probing Dynamic Heterogeneity in Nano-Confined Systems: Femtosecond Excitation Wavelength Dependence and FCS

Introduction

Solvation Dynamics in Nano-Confined Systems

Fluorescence Resonance Energy Transfer (FRET): lex Dependence

Excited State Proton Transfer (ESPT)

Diffusion of Organic Dyes by Fluorescence Correlation Spectroscopy (FCS)

Conclusions

Acknowledgement

References

Fluorescence Studies of the Hydrogen Bonding of Excited State Molecules within Supramolecular Host-Guest Inclusion Complexes

Introduction

Hydrogen Bonding Involving Excited States of Fluorescent Probes in Solution

Hydrogen Bonding of Excited States of Included Guests

Conclusions

References

Hydrogen Bonding on Photoexcitation

Introduction

Intermolecular Excited State Hydrogen Bonding

Concluding Remarks

References

Effect of Intramolecular H-Bond-Type Interactions on the Photochemistry of Aza-Stilbene-Like Molecules

Introduction

IHB Effects on the Photobehaviour of Stilbene-Like Molecules

References

Hydrogen Bonding Barrier Crossing Dynamics at Bio-Mimicking Surfaces

Introduction

Materials and Methods

Results and Discussions

Conclusion

Acknowledgement

References

Formation of Intermolecular Hydrogen Bonds in the Fluorescence Excited State of Organic Luminophores Containing Simultaneously Carbonyl and Amino Group

Introduction

Experimental

Results and Discussion

Conclusion

References

Hydrogen-Bonding Effects on Excited States of Para-Hydroxyphenacyl Compounds

Introduction

Experimental and Computational Methods

Hydrogen Bonding Effects on the Excited States of Selected Phenacyl Model Compounds

Hydrogen Bonding Effects on the Excited States of Selected Para-Hydroxyphenacyl Ester Phototriggers and the Role of Water in the Deprotection and Subsequent Reactions

References

Hydrogen Bonding Effects On Intramolecular Charge Transfer

Introduction

Polarity and Viscosity

Hydrogen Bonding with Donor Moiety

Hydrogen Bonding with Acceptor Moiety

Conclusion

Acknowledgement

References

Chemical Dynamics in Room Temperature Ionic Liquids: the Role of Hydrogen Bonding

Photoinduced Electron Transfer in a Room Temperature Ionic Liquid

Dynamics of Solvent Relaxation in Room Temperature Ionic Liquids Containing Mixed Solvents

References

Vibrational Spectroscopy for Studying Hydrogen Bonding in Imidazolium Ionic Liquids and their Mixtures with Co-Solvents

Introduction

Experimental Approaches

Hydrogen Bonding in Ionic Liquids

Potential, Challenges and Future Applications

Acknowledgement

References

Intramolecular H-Bond Formation Mediated De-Excitation of Curcuminoids: a Time-Resolved Fluorescence Study

Introduction

Experimental Setup and Data Analysis Methods

Results and Discussion

Conclusions

References

Hydrogen Bonds of Protein-Bound Water Molecules in Rhodopsins

Introduction

Detection of Water Under Strongly Hydrogen-Bonded Conditions in Bacteriorhodopsin

Hydration Switch Model as a Proton Transfer Mechanism in the Schiff Base Region of Bacteriorhodopsin

Time-Resolved IR Study of Water Structural Changes in Bacteriorhodopsin at Room Temperature

Role of Water Hydrogen Bond in Chloride-Ion Pump

Strongly Hydrogen-Bonded Water Molecules and Functional Correlation with the Proton-Pump Activity

Conclusion

Acknowledgement

References

Ground and Excited State Hydrogen Bonding in the Diazaromatic Betacarboline Derivatives

Introduction

Hydrogen Bond Interactions Between N9-methyl-9H- pyrido [3,4-b]indole, MBC and N9-methyl-1- methyl- 9H-pyrido[3,4-b]indole, MHN, with 1,1,1,3,3,3- hexafluoro-2-ol, HFIP, in Cyclohexane

Hydrogen Bond Interactions between N2-methyl-9H- pyrido[3,4-b]indole, BCA, and HFIP in Cyclohexane

Hydrogen Bond Interactions between 9H-pyrido[3,4-b] indole, BC, with HFIP in Cyclohexane

Hydrogen Bond Interactions between BC and Pyridine Derivatives in Cyclohexane and in BC Self-Aggregates in 2-methylbutane, 2MB

Concluding Remarks

Acknowledgement

References

Effect of H-Bonding on the Photophysical Behavior of Coumarin Dyes

Introduction

Effect of Intermolecular H-Bonding

Effect of Intramolecular H-Bonding on ICT to TICT Conversion

Summary

References

Role of Hydrogen Bonds in Photosynthetic Water Splitting

Introduction

Photosystem II: Overall Reaction Pattern and Cofactor Arrangement

Hydrogen Bonds and thermo-Stability of PS II

Reaction Sequences of PS II and role of hydrogen bonds

Concluding Remarks

Acknowledgement

References

Proton Transfer Reactions in the Excited Electronic States

Introduction

ESIPT in 3-Hydroxyflavones and Some Relative Compounds

Dynamic Quenching of Fluorescence as a Simple Test for Study of Photochemical Reaction Character

Use of Dynamic Quenching of Fluorescence For Study of Reactions From Higher Excited States

ESIPT From S2 Singlet State in 3-hydroxyflavone

Concluding Remarks

Acknowledgement

References

Controlling Excited-State Proton/H-Atom Transfer along Hydrogen-Bonded Wires

Introduction

Prototype System

What Favors/Prevents ESHAT

Conclusion

Acknowledgements

References

Excited State Proton Transfer via Hydrogen Bonded Dimers and Complexes in Condensed Phase

Introduction

Biprotonic transfer within doubly H-bonded homo and heterodimers

Proton transfer through host/guest types of hydrogen bonded complexes

Solvation dynamics coupled into the proton transfer reaction

Conclusions

Acknowledgements

References

QM/MM excited-state molecular dynamics approach using effective fragment potentials method

Introduction

Applications

Concluding Remarks

Acknowledgement

References

Excited States Intramolecular Proton Transfer Processes on Some Isomeric Naphthalene Derivatives – a DFT Study

Introduction

Theoretical Calculations

Results and Discussion

Conclusions

Acknowledgement

References

Conformational Switching Between Acids and their Anions by Hydrogen Bonding

Introduction

pKa Shift of Acids by Neighboring Amide NH

Coordination of the Anion Ligand to Metal Ion

Conclusions

References

Charge Transfer in Excited States: ab initio Molecular Dynamics Simulations

Introduction

Charge-Transfer-to-Solvent-Driven Dissolution Dynamics of I-(H2O)2-5 Upon Excitation

Dynamics of Water Photolysis: Excited State and Born-Oppenheimer Molecular Dynamics Study

Photo-Dissociation of Hydrated Hydrogen Iodide Clusters: ab initio Molecular Dynamics Simulations

Excited State Dynamics of Pyrrole-Water Complexes: ab initio Excited State Molecular Dynamics Simulations

Conclusions

References

Competitive ESIPT in O-hydroxy Carbonyl Compounds: Perturbation through Solvent Modulation and Internal Torsion

Excited State Proton Transfer: an Overview

Excited State Intramolecular Proton Transfer (ESIPT)

ESIPT in O-hydroxy Carbonyl Compounds

Concluding Remarks

Acknowledgement

References

Excited State Double Hydrogen-Bonding Induced by Charge Transfer in Isomeric Bifunctional Azaaromatic Compounds: Pyrido-Indole and Pyrrolo-Quinoline Derivatives

Introduction

Pyrrolo-Quinoline Derivatives (PQ, DPC, TPC)

Methylene-Bridged 2-(2'-pyridyl)indoles and Pyrido[2,3-a]carbazole (PC)

Fluorescence Quenching by Electron Transfer in Pyrroloquinolines and Pyin-n

Betacarboline Derivatives

References

Unusual Rheology of Hydrogen Bonded Large Molecular Aggregates of Charged Amphiphiles: Photochemistry and Photophysics of Hydroxy Aromatic Dopants

Introduction

Microstructural Transition of Micelles in Presence of Inorganic and Organic Salts

Microstructural Transition of Micelles in Presence of Neutral Aromatic Dopants

Photochemistry and Photophysics of Hydroxy Aromatic Compounds

Excited State Proton Transfer (ESPT) of Hydroxy Aromatic Compounds

ESPT of Hydroxy Aromatic Compounds in Organised Media and Some Unusual Emission Phenomena

Acknowledgement

References

Excited-State Intramolecular Proton Transfer in Benzoxazole Derivatives

Introduction

Intromolecular Proton Transfer in 2,5-bis(2'-hydroxy-phenyl)benzoxazole Derivatives

References

Ultrafast Dynamics of the Excited States of Hydrogen-Bonded Complexes and Solvation

Introduction

Identification and Characterization of Hydrogen-Bonded Complex

Vibrational Dynamics of the C=O Stretching Mode of Fluorenone

Dynamics of Excited States of Hydrogen-Bonded Complex

Summary and Conclusion

Acknowledgement

References

Reaction Volume for the Photoinduced Proton Transfer in Aqueous Solutions of 6-methoxyquinoline

Introduction

Materials and Methods

Results and Discussion

References

Molecular Recognition and Chemical Sensing of Anions Utilizing Excited-State Hydrogen-Bonding Interaction

Recognition and Sensing of Anions by Intramolecular Hydrogen Bonding in Excited States

Recognition and Sensing of Anions by Intermolecular Hydrogen Bonding in Excited States

Recognition and Sensing of Anions by Conjugated Polymers through ESIPT

References

Theoretical Studies of Green and Red Fluorescent Proteins

Introduction

Method of Calculation

Results and Discussion

Conclusions & Future Work

Acknowledgement

References

Changes in Active Site Hydrogen Bonding upon the Formation of the Electronically Excited State of Photoactive Yellow Protein

Central Importance of Light in Biology

Possible Importance of Excited State Hydrogen Bonding in Photoreceptors

Introduction To Photoactive Yellow Protein

Hydrogen Bonding in the Initial State of PYP

Assignment of Vibrational Modes in PYP

Identification of Vibrational Structural Markers

Changes In Hydrogen Bonding During the Initial Stages of the PYP Photocycle

Sub-Picosecond Time Resolved Transient Spectroscopy of PYP

Changes in Active Site Hydrogen Bonding Upon the Formation of the S1 State of PYP

Acknowledgement

References

Ultrafast Catalytic Processes in the Light-Driven Enzyme Protochlorophyllide Oxidoreductase (POR)

Introduction

Protochlorophyllide Oxidoreductase (POR)

The Catalytic Mechanism of POR

Ultrafast Catalytic Processes of the Isolated Pchlide Species

Ultrafast Catalytic Processes of the Enzyme-Bound Pchlide Species

Conclusions

References

Photodissociation of Molecules in Hydrogen Bonded Clusters Probing the Excited State

Introduction

Experiment

Aqueous Photochemistry From the Cluster Perspective

Hydrogen Bonded Clusters of Nitrogen Heterocycles

General Conclusions and Outlook

Acknowledgment

References

Index

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