Unraveling Hydrogen Bonded Clustering with Water

Unraveling Hydrogen Bonded Clustering with Water

Author: Dr. Anant D. Kulkarni

Publisher:

Published: 2020

Total Pages: 0

ISBN-13:

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Extensive density functional theory (DFT) studies have been compiled and additional investigation has been performed for several energetically favorable conformers of hydrogen bonded water clusters. The focus here is not to merely reviewing the literature on DFT investigations on water clusters but to understand the basic building blocks, structural patterns and trends in the energetics of the clusters during the cluster growth. The successive addition of water molecules to these clusters alters the hydrogen bonding pattern, that leads to modification in overall cluster geometry which is also reflected in the vibrational frequency shifts in simulated vibrational infra-red (IR) spectra.


Snow, Ice And Other Wonders Of Water: A Tribute To The Hydrogen Bond

Snow, Ice And Other Wonders Of Water: A Tribute To The Hydrogen Bond

Author: Ivar Olovsson

Publisher: World Scientific

Published: 2015-12-18

Total Pages: 95

ISBN-13: 9814749389

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The book illustrates the fascinating world of the different forms of water — from ice and snow to liquid water. The water molecule, H2O, is the second most common molecule in the Universe (behind hydrogen, H2) and ice is the most abundant solid material. Snow and ice appear in a countless large number of different shapes and with properties which can be quite different. Detailed knowledge of the properties of snow is of great importance for the Sami people involved in reindeer herding and several hundred names are used to characterize the different types.The properties of ice and liquid water are very special and unique in several respects. In contrast to most other substances, the density of ice is lower than that of liquid water, which has many very important consequences in our daily life. Water plays a unique role in chemistry and although tremendous research has been spent on this seemingly simple substance, there are still many unsolved questions about the structure of liquid water. The special properties of water are due to hydrogen bonding between the H2O molecules, and this book may be seen as a tribute to the hydrogen bond. The general properties of the hydrogen bond are treated in three separate papers. The hydrogen bond is of fundamental importance in biological systems since all living matter has evolved from and exists in an aqueous environment and hydrogen bonds are involved in most biological processes. There is a hundred times more water molecules in our bodies than the sum of all the other molecules put together.


The Hydrogen Bond and the Water Molecule

The Hydrogen Bond and the Water Molecule

Author: Yves Marechal

Publisher: Elsevier

Published: 2006-12-11

Total Pages: 333

ISBN-13: 0080469299

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The Hydrogen Bond and the Water Molecule offers a synthesis of what is known and currently being researched on the topic of hydrogen bonds and water molecules. The most simple water molecular, H2O, is a fascinating but poorly understood molecule. Its unique ability to attract an exceptionally large number of hydrogen bonds induces the formation of a dense "hydrogen bond network" that has the potential to modify the properties of the surrounding molecules and their reactivities. The crucial role that water molecules play is described in this book. The author begins by providing an overview of the thermodynamical and structural properties of H-bonds before examining their much less known dynamical properties, which makes them appear as centres of reactivity. Methods used to observe these components are also reviewed. In the second part of the book the role played by the dense H-bond network developed by H2O molecules is examined. First in ice, where it has important atmospheric consequences, then in liquid water, and finally in macromolecules where it sheds some original light on the fundamental question "How is it that without water and hydrogen bonds life would not exist?". This book will be of interest to researchers in the fields of physics, chemistry, biochemistry and molecular biology. It can also serve as a teaching aid for students attending course in chemical physics, chemistry or molecular biology. Engineers involved the water industry would benefit from reading this book, as would scientists working in pharmaceutics, cosmetics and materials. * overview of what is known and being researched on the topic of hydrogen bonds and water molecules * reviews methods used to observe interactions between water molecules and hydrogen bonds * examines role of H-bond network developed by H2O molecules


Visualization of Hydrogen-Bond Dynamics

Visualization of Hydrogen-Bond Dynamics

Author: Takashi Kumagai

Publisher: Springer Science & Business Media

Published: 2012-09-02

Total Pages: 139

ISBN-13: 443154156X

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The hydrogen bond represents an important interaction between molecules, and the dynamics of hydrogen bonds in water create an ever-present question associated with the process of chemical and biological reactions. In spite of numerous studies, the process remains poorly understood at the microscopic level because hydrogen-bond dynamics, such as bond rearrangements and hydrogen/proton transfer reactions, are extremely difficult to probe. Those studies have been carried out by means of spectroscopic methods where the signal stems from the ensemble of a system and the hydrogen-bond dynamics were inferred indirectly. This book addresses the direct imaging of hydrogen-bond dynamics within water-based model systems assembled on a metal surface, using a scanning tunneling microscope (STM). The dynamics of individual hydrogen bonds in water clusters, hydroxyl clusters, and water-hydroxyl complexes are investigated in conjunction with density functional theory. In these model systems, quantum dynamics of hydrogen bonds, such as tunneling and zero-point nuclear motion, are observed in real space. Most notably, hydrogen atom relay reactions, which are frequently invoked across many fields of chemistry, are visualized and controlled by STM. This work presents a means of studying hydrogen-bond dynamics at the single-molecule level, providing an important contribution to wide fields beyond surface chemistry.


Hydrogen Bonding and Transfer in the Excited State

Hydrogen Bonding and Transfer in the Excited State

Author: Ke-Li Han

Publisher: John Wiley & Sons

Published: 2011-03-16

Total Pages: 1229

ISBN-13: 1119972922

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This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. Initial chapters present both the experimental and theoretical investigations on the excited-state hydrogen bonding structures and dynamics of many organic and biological chromophores. Following this, several chapters describe the influences of the excited-state 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 bio-mimicking surfaces. Finally, the book examines experimental and theoretical studies on the nature and control of excited-state 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.


Hydrogen Bonding in Biological Structures

Hydrogen Bonding in Biological Structures

Author: George A. Jeffrey

Publisher: Springer

Published: 1991-06-14

Total Pages: 592

ISBN-13:

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Kenyatta Shakur is alone. His wife has died, and now, this former Black Revolutionary and political prisoner, is desperate to reconnect with his estranged daughter Nina. If Kenyatta truly wants to reconcile his past, he must first conquer his most challenging revolution of all ¿ fatherhood. Sunset Baby is an energised, vibrant and witty look at the point where the personal and political collide. One of the most exciting and distinctive undiscovered voices in America.


Hydrogen Bonding - New Insights

Hydrogen Bonding - New Insights

Author: Slawomir Grabowski

Publisher: Springer Science & Business Media

Published: 2006-10-07

Total Pages: 536

ISBN-13: 140204853X

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This book uses examples from experimental studies to illustrate theoretical investigations, allowing greater understanding of hydrogen bonding phenomena. The most important topics in recent studies are covered. This volume is an invaluable resource that will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.


The Hydrogen Bond

The Hydrogen Bond

Author: Aloys Hüttermann

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2019-04-01

Total Pages: 131

ISBN-13: 3110628015

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The author illustrates why the rather weak hydrogen bond is so essential for our everyday life in a lively and entertaining way. The chemical and physical fundamentals are explained with examples ranging from the nature of water over the secret of DNA to adhesives and modern detergents. The interdisciplinary science is easy to understand and hence a great introduction for chemists, biologists and physicists.


The Weak Hydrogen Bond

The Weak Hydrogen Bond

Author: Gautam R. Desiraju

Publisher: International Union of Crystal

Published: 2001

Total Pages: 530

ISBN-13: 9780198509707

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The weak or non-conventional hydrogen bond has been subject of intense scrutiny over recent years in several fields, in particular in structural chemistry, structural biology, and also in the pharmaceutical sciences. There is today a large body of experimental and theoretical evidenceconfirming that hydrogen bonds like C-H...O, N-H...pi, C-H...pi and even bonds like O-H...metal play distinctive roles in molecular recognition, guiding molecular association, and in determining molecular and supramolecular architectures. The relevant compound classes include organometalliccomplexes, organic and bio-organic systems, and also DNA and proteins. The book provides a comprehensive assessment of this interaction type, and is of interest to all those interested in structural and supramolecular science, including fields as crystal engineering and drug design.