Editors' Biographies ........................................... xv
Reviewer Comments ............................................ xvii
List of Contributors ....................................... xxxiii
Preface ..................................................... xxxix
Volume I
1 Vibrational Dynamics of the Double Hydrogen Bonds in
Nucleic Acid Base Pairs ...................................... 1
Yun-an Yan and Oliver Kühn
1.1 Introduction ............................................ 1
1.2 Hydrogen Bonding and Nonlinear Infrared Spectroscopy .... 3
1.3 Correlated Vibrational Dynamics of an Adenine-Uracil
Derivative in Solution .................................. 9
1.4 Conclusion ............................................. 22
Acknowledgement ............................................. 23
Appendix .................................................... 23
References .................................................. 24
2 Vibrational Energy Relaxation Dynamics of XH Stretching
Vibrations of Aromatic Molecules in the Electronic Excited
State ....................................................... 29
Takayuki Ebata
2.1 Introduction ........................................... 29
2.2 IR Spectra of 2-Naphthol and its H-Bonded Clusters in
S1 ..................................................... 30
2.3 VER Dynamics of Bare 2-Naphthol ........................ 31
2.4 VER Dynamics of H-Bonded Clusters of 2-Naphfhol ........ 31
2.5 Comparison of the eis → trans Barrier Height Between
S0 and S1 .............................................. 36
2.6 Conclusion ............................................. 37
References .................................................. 37
3 Hydrogen Bond Basicity in the Excited State: Concept and
Applications ................................................ 39
Attila Demeter
3.1 Introduction ........................................... 39
3.2 Experiment ............................................. 40
3.1 Results and Discussion ................................. 41
3.4 Summary ................................................ 76
Acknowledgements ............................................ 77
References .................................................. 77
4 Solute-Solvent Hydrogen Bond Formation in the Excited
State. Experimental and Theoretical Evidence ................ 79
Iulia Matei, Sorana Ionescu and Mihaela Hillebrand
4.1 Introduction ........................................... 79
4.2 The Prerequisite Conditions for Hydrogen Bond
Formation .............................................. 80
4.3 Diagnosis Criteria and Quantitative Treatment of
Hydrogen Bonds ......................................... 82
4.4 Design of the Experiments .............................. 98
4.5 Theoretical Modelling of the H-Bonds .................. 104
4.6 Conclusions ........................................... 117
References ................................................. 119
5 Electronic-Excited-State Structures and Properties of
Hydrated DNA Bases and Base Pairs .......................... 125
Manoj K. Shukla and Jerzy Leszczynski
5.1 Introduction .......................................... 125
5.2 Ground-State Structures of Nucleic Acid Bases and
Base Pairs ............................................ 128
5.3 Excited-State Structures of Nucleic Acid Bases ........ 129
5.4 Excited States of Base Pairs .......................... 138
5.5 Excited-State Dynamics and Non-Radiative Decays ....... 142
5.6 Conclusions ........................................... 143
Acknowledgements ........................................... 143
References ................................................. 144
6 Insight from Singlet into Triplet Excited-State Hydrogen
Bonding Dynamics in Solution ............................... 149
Guang-Jiu Zhao and Ke-Li Han
6.1 Introduction .......................................... 149
6.2 Theoretical Methods ................................... 151
6.3 Results and Discussion ................................ 151
6.4 Conclusion ............................................ 156
Acknowledgements ........................................... 156
References ................................................. 156
7 Probing Dynamic Heterogeneity in Nanoconfined Systems:
the Femtosecond Excitation Wavelength Dependence and
Fluorescence Correlation Spectroscopy ...................... 159
Shantanu Dey, Ujjwal Mandal, Aniruddha Adhikari, Subhadip
Ghosh and Kankan Bhattacharyya
7.1 Introduction .......................................... 159
7.2 Solvation Dynamics in Nanoconfined Systems ............ 160
7.3 Fluorescence Resonance Energy Transfer (FRET):
Dependence ............................................ 166
7.4 Excited-State Proton Transfer (ESPT) .................. 167
7.5 Diffusion of Organic Dyes by Fluorescence
Correlation Spectroscopy (FCS) ........................ 170
7.6 Conclusions ........................................... 172
Acknowledgements ........................................... 172
References ................................................. 172
8 Fluorescence Studies of the Hydrogen Bonding of Excited-
State Molecules Within Supramolecular Host-Guest
Inclusion Complexes ........................................ 175
Brian D. Wagner
8.1 Introduction .......................................... 175
8.2 Hydrogen Bonding Involving Excited States of
Fluorescent Probes in Solution ........................ 177
8.3 Hydrogen Bonding of Excited States of Included
Guests ................................................ 180
8.4 Conclusions ........................................... 187
References ................................................. 188
9 Hydrogen Bonding on Photoexcitation ........................ 193
Debarati Dey, Manas Kumar Sarangi and Samita Basu
9.1 Introduction .......................................... 193
9.2 Intermolecular Excited-State Hydrogen Bonding ......... 194
9.3 Concluding Remarks .................................... 202
References ................................................. 202
10 Effect of Intramolecular H-Bond-Type Interactions on the
Photochemistry of Aza-Stilbene-Like Molecules .............. 205
Giampiero Bartocci, Ugo Mazzucato and Anna Spalletti
10.1 Introduction .......................................... 205
10.2 Control of the Conformational Equilibria in the
Ground State .......................................... 206
10.3 Control of Radiative and Reactive Relaxation .......... 210
10.4 Unusual Adiabatic Photoisomerization in the Ј → Z
Direction ............................................. 211
References ................................................. 214
11 Hydrogen Bonding Barrier-Crossing Dynamics at
Biomimicking Surfaces ...................................... 217
Rajib Kumar Mitra, Pramod Kumar Verma, Debapriya Banerjee
and Samir Kumar Pal
11.1 Introduction .......................................... 217
11.2 Materials and Methods ................................. 222
11.3 Results and Discussion ................................ 237
11.4 Conclusion ............................................ 259
Acknowledgements ........................................... 260
References ................................................. 260
12 Intermolecular Hydrogen Bonding in the Fluorescence
Excited State of Organic Luminophores Containing Both
Carbonyl and Amino Groups .................................. 269
Ilijana Timcheva and Peter Nikolov
12.1 Introduction .......................................... 269
12.2 Experimental .......................................... 270
12.3 Results and Discussion ................................ 270
12.4 Conclusion ............................................ 284
References ................................................. 284
13 Hydrogen-Bonding Effects on Excited States of Para-
Hydroxyphenacyl Compounds .................................. 287
David Lee Phillips
13.1 Introduction .......................................... 287
13.2 Experimental and Computational Methods ................ 288
13.3 Hydrogen-Bonding Effects on the Excited States of
Selected Phenacyl Model Compounds ..................... 289
13.4 Hydrogen-Bonding Effects on the Excited States of
Selected Fara-Hydroxyphenacyl Ester Phototriggers
and the Role of Water in the Deprotection and
Subsequent Reactions .................................. 302
References ................................................. 310
14 Hydrogen-Bonding Effects on Intramolecular Charge
Transfer ................................................... 313
Govindarajan Krishnamoorthy
14.1 Introduction .......................................... 313
14.2 Polarity and Viscosity ................................ 317
14.3 Hydrogen Bonding with the Donor Moiety ................ 318
14.4 Hydrogen Bonding with the Acceptor Moiety ............. 320
14.5 Conclusion ............................................ 327
Acknowledgements ........................................... 327
References ................................................. 327
15 Chemical Dynamics in Room-Temperature Ionic Liquids: the
Role of Hydrogen Bonding ................................... 331
Souravi Sarkar, Rajib Pramanik and Nilmoni Sarkar
15.1 Photoinduced Electron Transfer in a Room-Temperature
Ionic Liquid .......................................... 331
15.2 Dynamics of Solvent Relaxation in Room-Temperature
Ionic Liquids Containing Mixed Solvents ............... 335
Acknowledgements ........................................... 339
References ................................................. 339
16 Vibrational Spectroscopy for Studying Hydrogen Bonding
in Imidazolium Ionic Liquids and their Mixtures with
Cosolvents ................................................. 341
Johannes Kiefer
16.1 Introduction .......................................... 341
16.2 Experimental Approaches ............................... 342
16.3 Hydrogen Bonding in Ionic Liquids ..................... 345
16.4 Potential, Challenges and Future Applications ......... 349
Acknowledgements ........................................... 349
References ................................................. 350
17 Intramolecular H-Bond Formation Mediated De-Excitation of
Curcuminoids: a Time-Resolved Fluorescence Study ........... 353
Luca Nardo, Alessandra Andreoni and Hanne Hjorth Tønnesen
17.1 Introduction .......................................... 353
17.2 Experimental Set-Up and Data Analysis Methods ......... 363
17.3 Results and Discussion ................................ 366
17.4 Conclusions ........................................... 373
References ................................................. 373
18 Hydrogen Bonds of Protein-Bound Water Molecules in
Rhodopsins ................................................. 377
Hideki Kandori
18.1 Introduction .......................................... 377
18.2 Detection of Water Under Strongly Hydrogen-Bonded
Conditions in Bacteriorhodopsin ....................... 379
18.3 Hydration Switch Model as a Proton Transfer
Mechanism in the Schiff Base Region of
Bacteriorhodopsin ..................................... 380
18.4 Time-Resolved IR Study of Water Structural Changes
in Bacteriorhodopsin at Room Temperature .............. 382
18.5 Role of the Water Hydrogen Bond in a Chloride-Ion
Pump .................................................. 384
18.6 Strongly Hydrogen-Bonded Water Molecules and
Functional Correlation with the Proton-Pump
Activity .............................................. 386
18.7 Conclusion ............................................ 388
Acknowledgements ........................................... 388
References ................................................. 389
19 Ground- and Excited-State Hydrogen Bonding in the
Diazaromatic Betacarboline Derivatives ..................... 393
Carmen Carmona, Manuel Balón, María Asunción Muñoz,
Antonio Sánchez-Coronilla, José Hidalgo and Emilio
García-Fernández
19.1 Introduction .......................................... 393
19.2 MBC-HFIP and MHN-HFIP ................................. 396
19.3 BCA-HFIP .............................................. 403
19.4 ВС-НИР ................................................ 406
19.5 ВС-ВС and BC-PY ....................................... 409
19.6 Concluding Remarks .................................... 415
Acknowledgements ........................................... 416
References ................................................. 416
20 Effect of H-bonding on the Photophysical Behaviour of
Coumarin Dyes .............................................. 419
Sukhendu Nath, Manoj Kumbhakar and Haridas Pal
20.1 Introduction .......................................... 419
20.2 Effect of Intermolecular H-bonding .................... 421
20.3 Effect of Intramolecular H-bonding on ICT to TICT
Conversion ............................................ 426
20.4 Summary ............................................... 429
References ................................................. 430
21 Role of Hydrogen Bonds in Photosynthetic Water Splitting ... 433
Gemot Renger
21.1 Introduction .......................................... 433
21.2 Photosystem II: Overall Reaction Pattern and
Cofactor Arrangement .................................. 434
21.3 Hydrogen Bonds and the Thermal Stability of PS II ..... 436
21.4 Reaction Sequences of PS II and the Role of Hydrogen
Bonds ................................................. 437
21.5 Concluding Remarks and Future Perspectives ............ 452
Acknowledgements ........................................... 452
References ................................................. 452
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