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Proton Transfer in Hydrogen-Bonded Systems

✍ Scribed by Yves Maréchal (auth.), T. Bountis (eds.)


Publisher
Springer US
Year
1992
Tongue
English
Leaves
359
Series
NATO ASI Series 291
Edition
1
Category
Library

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✦ Synopsis


Charge transport through the transfer of protons between molecules has long been recognized as a fundamental process, which plays an important role in many chemical reactions. In particular, proton transfer through Hydrogen (H-) bonds has been identified as the main mechanism, via which many bioΒ­ logical functions are performed and many properties of such basic substances as proteins and ice can be understood. In this volume, several of these important aspects of the H-bond are repΒ­ resented. As the division in different sections already indicates, present day research in proton teansfer in biochemistry, biology, and the physics of water and ice remains highly active and very exciting. Nearly a decade ago, a novel approach to the study of collective proton motion in H-bonded systems was proposed, in which this phenomenon was explained by the propagation of certain coherent structures called solitons. In the years that followed, the approach ofsoliton dynamics was further extended and developed by many researchers around the world, into a legitimate and useful method for the analysis of proton transfer in H-bonded systems. Dr. Stephanos Pnevmatikos, the original Director of this ARW, was one of the pioneers in the application ofsoliton ideas to the study ofcharge transport through H-bonds. Having used similar concepts himself in his research on 2D lattices) he was convinced energy transfer through molecular chains (and that solitons can play an important role in enhancing our understanding of protonic conductivity.

✦ Table of Contents


Front Matter....Pages i-xiv
Transfers of Protons as a Third Fundamental Property of H-Bonds -Importance of Cooperative Resonance Type in Cyclic Structures....Pages 1-15
Proton Transport in Condensed Matter....Pages 17-28
Extraction of the Principles of Proton Transfers by AB Initio Methods....Pages 29-47
Construction of the Model Strong Hydrogen Bond Potential Energy Surface and Proton Transfer Dynamics....Pages 49-63
Thermal Generation and Mobility of Charge Carriers in Collective Proton Transport in Hydrogen-Bonded Chains....Pages 65-78
Soliton Modelling for the Proton Transfer in Hydrogen-Bonded Systems....Pages 79-93
Soliton Propagation Through Inhomogeneous Hydrogen-Bonded Chains....Pages 95-103
The Concept of Soliton-Carrier Collective Variable for Proton Transfer in Extended Hydrogen-Bonded Systems: Overview....Pages 105-119
Dynamics of Nonlinear Coherent Structures in a Hydrogen-Bonded Chain Model: The Role of the Dipole-Dipole Interactions....Pages 121-130
Thermally Excited Lattice Solitons....Pages 131-137
Destruction of Solitons in Frenkel β€” Kontorova Models with Anharmonic Interactions....Pages 139-152
Proton Polarizability of Hydrogen Bonded Systems Due to Collective Proton Motion β€” with a Remark to the Proton Pathways in Bacteriorhodopsin....Pages 153-166
Percolation and Dissipative Quantum Tunneling of Protons in Hydrated Protein Powders....Pages 167-170
Light-Triggered Opening and Closing of an Hydrophobic Gate Controls Vectorial Proton Transfer Across Bacteriorhodopsin....Pages 171-185
Proton Transfer in the Light-Harvesting Protein Bacteriorhodopsin: An Investigation with Optical pH-Indicators....Pages 187-197
Diffusion of Proton in the Microscopic Space of the PhoE Channel....Pages 199-206
Glass Transitions in Biological Systems....Pages 207-216
Interaction Between Acetic Acid and Methylamine in Water Molecular Dynamics and AB-Initio MO Studies....Pages 217-227
Crystal of Adenine and Dissociated and Nondissociated Chloroacetic Acid β€” A Promising Model System for the Study of Proton Transfer Phenomena....Pages 229-232
AB Initio HF SCF Calculation of the Effect of Protonation on Vibrational Spectra of Adenine....Pages 233-237
Studies of the Nature of the Ordering Transformation in ICE Ih....Pages 239-248
Defect Activity in ICY Solids from Isotopic Excange Rates: Implications for Conductance and Phase Transitions....Pages 249-260
Single-Molecule Dynamics and the β€œOptical Like” Collective Modes in Liquid Water....Pages 261-271
Free-Energy Computer Simulations for the Study of Proton Transfer in Solutions....Pages 273-280
A Kinetic Model for Proton Transfers in Solutions....Pages 281-295
Raman Investigation of Proton Hydration and Structure in Concentrated Aqueous Hydrochloric Acid Solutions....Pages 297-311
Proton Charge Transfer in a Polar Solvent....Pages 313-323
A Density-Functional Study of Hydrogen Bonds....Pages 325-341
Theoretical Analysis of Isotopic Scrambling in Ion-Molecule Reactions Involving Proton Transfers....Pages 343-349
Two Sublattice Model of Hydrogen Bonding at Finite Temperatures....Pages 351-355
Back Matter....Pages 357-365

✦ Subjects


Physical Chemistry;Atomic, Molecular, Optical and Plasma Physics


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