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

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ISBN: 9780470666777 | 0470666773
Cover: Hardcover
Copyright: 12/1/2010

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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.

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

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