Download or read book Microwave and Far infrared Spectroscopy of Water containing Hydrogen bonded Dimers written by Paul A. Stockman and published by . This book was released on 1996 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book The Molecular Dynamics of Hydrogen bonding Explored with Broadband Two Dimensional Infrared Spectroscopy written by Luigi De Marco (Ph. D.) and published by . This book was released on 2016 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is no overstatement to claim that hydrogen bonding is the most important intermolecular interaction. On a day-to-day basis, we encounter the peculiar effects of hydrogen bonding in liquid water; however, it is well appreciated that hydrogen bonding is immensely important in many contexts and, in particular, in biological ones. Despite this apparent significance, a general molecular picture of the dynamics of hydrogen-bonding systems is lacking. Over the last two decades, ultrafast multidimensional infrared spectroscopy has emerged as powerful technique for studying molecular dynamics in the condensed phase. By taking advantage of the complex relationship between a molecular oscillator's frequency and its environmental structure, we may understand molecular dynamics from an experimental perspective. However, the study of hydrogen bonding poses a significant technical challenge in that the interaction gives rise to broad resonances in the mid-infrared absorption spectrum. Traditional methods for generating short pulses of mid-infrared light are fundamentally limited in the bandwidth they can produce. Oftentimes, the width of a hydrogen-bonded oscillator's absorption resonance exceeds the broadest bandwidth mid-infrared laser pulse. In this thesis, I describe our development and use of a novel source of short, broadband mid-infrared light pulses that span the entire region of high-frequency molecular vibrations. We use this source as a probe in two-dimensional infrared spectroscopy experiments to study a wide variety hydrogen-bonding systems, including hydrogen-bonded dimers and protein films, with a particular emphasis on liquid water. Across these systems, we observe fascinating trends in the changes in molecular dynamics with increasing complexity of hydrogen bonding. In particular, we find experimental evidence for large deformations of the nuclear potential energy surface, giving rise to extremely anharmonic and collective dynamics. The effect is most dramatic in liquid water, where the rapidly fluctuating hydrogen-bond network results in vibrational excitons wherein O-H stretching motion is delocalized over multiple molecules. In this case, the nuclear potential energy surface is so complex that even simple changes in the mass of the oscillators result in qualitatively different dynamics.

Download or read book Hydrogen Bonding written by Steve Scheiner and published by Oxford University Press. This book was released on 1997-09-04 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.

Download or read book The Hydrogen Bond and the Water Molecule written by Yves Marechal and published by Elsevier. This book was released on 2006-12-11 with total page 333 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Publications of the National Institute of Standards and Technology Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1991 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Dissertation Abstracts International written by and published by . This book was released on 2000 with total page 870 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Publications written by United States. National Bureau of Standards and published by . This book was released on 1986 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Far Infrared Spectroscopy of Van Der Waals Complexes and the Microwave Elucidation of a Quasi covalent System written by Michael Allen Dvorak and published by . This book was released on 1992 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Molecular Symmetry and Spectroscopy written by Philip R. Bunker and published by NRC Research Press. This book was released on 2006 with total page 778 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first edition, by P.R. Bunker, published in 1979, remains the sole textbook that explains the use of the molecular symmetry group in understanding high resolution molecular spectra. Since 1979 there has been considerable progress in the field and a second edition is required; the original author has been joined in its writing by Per Jensen. The Material of the first edition has been reorganized and much has been added. The molecular symmetry group is now introduced early on, and the explanation of how to determine nuclear spin statistical weights has been consolidated in one chapter, after groups, symmetry groups, character tables and the Hamiltonian have been introduced. A description of the symmetry in the three-dimensional rotation group K(spatial), irreducible spherical tensor operators, and vector coupling coefficients is now included. The chapters on energy levels and selection rules contain a great deal of material that was not in the first edition (much of it was undiscovered in 1979), concerning the Jahn-Teller effect, the Renner effect, Multichannel Quantum Defect Theory, the use of variational methods for calculating rotational-vibration energy levels, and the contact transformed rotation-vibration Hamiltonian. A new chapter is devoted entirely to weakly bound cluster molecules (often called Van der Waals molecules). A selection of experimental spectra is included in order to illustrate particular theoretical points.

Download or read book An Investigation of the Microwave Spectra of R2O HX Type Hydrogen Bonded Dimers in the Gas Phase written by Z. Kisiel and published by . This book was released on 1980 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book VRT Spectroscopy and Hydrogen Bond Breaking Dynamics in Water Clusters written by Frank Norman Keutsch and published by . This book was released on 2001 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Intra and Intermolecular Interactions between Non covalently Bonded Species written by Elliot R. Bernstein and published by Elsevier. This book was released on 2020-09-10 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. - Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. - Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. - Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.

Download or read book An Investigation of the Properties of Some Hydrogen bonded Dimers in the Gas Phase written by Solomon Layiwola Adefolu Adebayo and published by . This book was released on 1989 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Pulsed nozzle Fourier transform Microwave Spectroscopy of Weakly Hydrogen Bonded Dimers written by Andrew Lindsay Wallwork and published by . This book was released on 1991 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book An Investigation of Tje Microwave Spectra of R20 HX Type Hydrogen Bonded Dimers in the Gas Phase written by and published by . This book was released on 1980 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book An Investigation of the Microwave Spectra of R20 HX Type Hydrogen Bonded Dimers in the Gas Phase written by Z. Kisiel and published by . This book was released on 1980 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Chiral Recognition in the Gas Phase written by Anne Zehnacker and published by CRC Press. This book was released on 2010-05-25 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the molecular interactions responsible for chiral recognition is of primary importance in life chemistry. Gas-phase experiments on either neutral or ionic adducts of chiral molecules allow for the study of intrinsic properties of chiral recognition in solvent-free conditions. With contributions from a panel of international experts ex