High-resolution Infrared Spectroscopy of Large Molecules and Water Clusters Using Quantum Cascade Lasers PDF Download
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Languages : en
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Languages : en
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Author: Martin Quack
Publisher: John Wiley & Sons
ISBN: 0470066539
Category : Science
Languages : en
Pages : 2236
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Book Description
The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Author: Martina H. Havenith
Publisher: Springer
ISBN: 3540454578
Category : Science
Languages : en
Pages : 124
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This book is intended to give an introduction to intermolecular forces from an experimental point of view. Within the last 10 years the interest has turned more and more into an understanding of the weak, but important, int- molecular forces. New experimental techniques have been developed which have helped to gain more insight into this interesting topic. This book is intended as an introduction for graduate students who are familiar with the main concepts of n~olecular spectroscopy. Special emphasis will be laid on the theoretical concepts. After a detailed description of experimental techniques, the results for two prototype systems which have been the subject of several studies in the literature within recent years will be presented. Ar-CO is becoming the most extensively studied van der Waals complex, theoretically and experimentally. Nevertheless, this example shows that even though the theory has greatly improved and has helped us to improve our knowledge of intermolecular forces, even for relatively simple cases the theory car1 still fall short of an accurate description. For a long time (NH3)2 was considered as a prototype for hydrogen bo- ing. However, subsequent experimental and theoretical studies have revealed the mysteries of the obtained spectra and proved that our previous concept of hydrogen bonds was just too naive.
Author: Jing Guo
Publisher: Springer
ISBN: 9811316635
Category : Science
Languages : en
Pages : 128
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This thesis presents a series of experimental techniques based on scanning probe microscopy, which make it possible access the degree of freedom of protons both in real and energy space. These novel techniques and methods allow direct visualization of the concerted quantum tunneling of protons within the hydrogen-bonded network and quantification of the quantum component of a single hydrogen bond at a water–solid interface for the first time. Furthermore, the thesis demonstrates that the anharmonic quantum fluctuations of hydrogen nuclei further weaken the weak hydrogen bonds and strengthen the strong ones. However, this trend was reversed when the hydrogen bond coupled to the local environment. These pioneering findings substantially advance our understanding of the quantum nature of H bonds at the molecular level.
Author: Marcos Antonio Loroño G.
Publisher:
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Languages : en
Pages :
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Author: Martin Gruebele
Publisher:
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Category :
Languages : en
Pages : 400
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Author:
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Category :
Languages : en
Pages : 75
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Water clusters formed in a molecular beam are predissociated by tunable, pulsed, infrared radiation in the frequency range 2900~3750 cm−1. The recoiling fragments are detected off axis from the molecular beam using a rotatable mass spectrometer. Arguments are presented which show that the measured frequency dependent signal at a fixed detector angle is proportional to the absorption spectrum of the clusters. It is found that the spectra of clusters containing three or more water molecules are remarkably similar to the liquid phase spectrum. Dynamical information on the predissociation process is obtained from the velocity distribution of the fragments. An upper limit to the excited vibrational state lifetime of ~1 microsecond is observed for the results reported here. The most probable dissociation process concentrates the available excess energy into the internal motions of the fragment molecules. Both the time scale and translational energy distribution are consistent with the qualitative predictions of current theoretical models for cluster predissociation. From adiabatic dissociation trajectories and Monte Carlo simulations it is seen that the strong coupling present in the water polymers probably invalidates the simpler "diatomic" picture formulations of cluster predissociation. Instead, the energy can be extensively shared among the intermolecular motions in the polymer before dissociation. Comparison between current intermolecular potentials describing liquid water and the observed frequencies is made in the normal mode approximation. The inability of any potential to predict the gross spectral features (the number of bands and their observed frequency shift from the gas phase monomer) suggests that substantial improvement in the potential energy functions are possible, but that more accurate methods of solving the vibrational wave equation are necessary before a proper explanation of the spectral fine structure is possible. The observed differences between the dimer and larger polymers (trimer-hexamer) indicate a dramatic change in the hydrogen bonding, which is best explained as arising from the non-additive effects present when a water molecule is both donating and accepting a hydrogen bond. This difference between dimer and trimer also rationalizes the previous disagreement between potential functions based on condensed phase properties (where the water molecule is interacting with multiple neighbors) and those fit to imperfect gas or dimer properties which sample only the isolated pair potential. The data support an interpretation of the hydrogen bonded O-H stretching fundamental region as arising from a homogeneous broadening (not necessarily a result of the predissociation) whose width is characteristic of the hydrogen bond itself and not the sum of distinct bonding geometries. This is different from some previous theories of the water infrared absorption spectrum which assign each band to water molecules bound to different numbers of neighboring molecules.
Author: Bin Liang
Publisher: Elsevier
ISBN: 0443141711
Category : Science
Languages : en
Pages : 671
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Book Description
Water Security: Big Data-Driven Risk Identification, Assessment and Control of Emerging Contaminants contains the latest information on big data-driven risk detection and analysis, risk assessment and environmental health effect, intelligent risk control technologies, and global control strategy of emerging contaminants. First, this book highlights advances and challenges throughout the detection of emerging chemical contaminants (e.g., antimicrobials, microplastics) by sensors or mass spectrometry, as well as emerging biological contaminant (e.g., ARGs, pathogens) by a combination of next- and third-generation sequencing technologies in aquatic environment. Second, it discusses in depth the ecological risk assessment and environmental health effects of emerging contaminants. Lastly, it presents the most up-to-date intelligent risk management technologies. This book shares instrumental global strategy and policy analysis on how to control emerging contaminants. Offering interdisciplinary and global perspectives from experts in environmental sciences and engineering, environmental microbiology and microbiome, environmental informatics and bioinformatics, intelligent systems, and knowledge engineering, this book provides an accessible and flexible resource for researchers and upper level students working in these fields. - Covers the detection, high-throughput analyses, and environmental behavior of the typical emerging chemical and biological contaminants - Focuses on chemical and biological big data driven aquatic ecological risk assessment models and techniques - Highlights the intelligent management and control technologies and policies for emerging contaminants in water environments
Author: Martina H Havenith
Publisher: Springer
ISBN: 9783662146477
Category :
Languages : en
Pages : 132
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Author: Richard Saykally
Publisher:
ISBN:
Category :
Languages : en
Pages : 5
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A high resolution infrared cavity ringdown laser absorption spectrometer has been developed to study proposed HEDM molecules and metal containing clusters. Using a novel tunable pulsed Alexandrite ring laser, we are able to generate tunable visible radiation with ca, 40 MHz bandwidth. This tunable visible light is downconverted to the infrared using stimulated Raman scattering in H2 and D2. With this system, tunable radiation from the UV to the far infrared can be generated with ca, 100 MHz bandwidth. We will test this system using our pulsed supersonic laser vaporization source to study both metal and carbon containing species. Infrared Cavity Ringdown Spectroscopy has also been used to study water clusters in both pulsed supersonic beams and pulsed discharged nozzles.
