Conformational Analysis of Molecules in Excited States

Conformational Analysis of Molecules in Excited States PDF Author: Jacek Waluk
Publisher: John Wiley & Sons
ISBN: 9780471297079
Category : Science
Languages : en
Pages : 400

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Book Description
A unique look at some of the hottest topics in photophysics and photochemistry today The study of molecules in excited states has exploded over the past decade, providing new insights into conformational changes in organic molecules and opening up research opportunities for scientists and professionals in chemistry, physics, biology, medicine, and materials engineering. Using conformational analysis as a unifying concept, this important new work provides readers with a cohesive and cutting-edge overview of this fascinating and challenging field. From conformational changes accompanying photoinduced electron transfer to elementary photophysical and photochemical processes in living systems, the most representative and challenging topics are carefully gleaned from the vast literature, highlighting major conceptual problems along with the relevant experimental techniques. Authoritative, detailed contributions from both experimentalists and theoreticians include coverage of: * Conformational changes in intramolecular excited state electron transfer * Conformational aspects of excited state proton transfer * The novel topic of solute-solvent friction in chemical reactions * Mechanisms and structural aspects of exciplex formations * Conformational aspects of organic photochemistry * Calculations of excited state conformational properties

Conformational Analysis of Molecules in Excited States

Conformational Analysis of Molecules in Excited States PDF Author: Jacek Waluk
Publisher: John Wiley & Sons
ISBN: 9780471297079
Category : Science
Languages : en
Pages : 400

Get Book Here

Book Description
A unique look at some of the hottest topics in photophysics and photochemistry today The study of molecules in excited states has exploded over the past decade, providing new insights into conformational changes in organic molecules and opening up research opportunities for scientists and professionals in chemistry, physics, biology, medicine, and materials engineering. Using conformational analysis as a unifying concept, this important new work provides readers with a cohesive and cutting-edge overview of this fascinating and challenging field. From conformational changes accompanying photoinduced electron transfer to elementary photophysical and photochemical processes in living systems, the most representative and challenging topics are carefully gleaned from the vast literature, highlighting major conceptual problems along with the relevant experimental techniques. Authoritative, detailed contributions from both experimentalists and theoreticians include coverage of: * Conformational changes in intramolecular excited state electron transfer * Conformational aspects of excited state proton transfer * The novel topic of solute-solvent friction in chemical reactions * Mechanisms and structural aspects of exciplex formations * Conformational aspects of organic photochemistry * Calculations of excited state conformational properties

Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy

Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy PDF Author: David A. Lightner
Publisher: John Wiley & Sons
ISBN: 9780471354055
Category : Science
Languages : en
Pages : 508

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Book Description
Unter Zirkulardichroismus (CD) versteht man die spezifisch unterschiedliche Absorption von links- und rechtszirkular polarisiertem Licht durch bestimmte Moleküle. CD-Effekte lassen sich in Abhängigkeit von der Wellenlänge messen und spektroskopisch auswerten; sie geben beispielsweise Auskunft über die Konformation organischer Verbindungen. Dieses Buch richtet sich an den organischen Chemiker, der mit den Grundprinzipien der Stereochemie vertraut ist, und erläutert die Anwendung der CD-Spektroskopie zur Konformationsanalyse ausführlich und verständlich. (06/00)

Structures and Conformations of Non-Rigid Molecules

Structures and Conformations of Non-Rigid Molecules PDF Author: J. Laane
Publisher: Springer Science & Business Media
ISBN: 9401120749
Category : Science
Languages : en
Pages : 640

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Book Description
From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.

Research Grants Index

Research Grants Index PDF Author: National Institutes of Health (U.S.). Division of Research Grants
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 918

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Book Description


The Chemistry of Anilines

The Chemistry of Anilines PDF Author: Zvi Rappoport
Publisher: John Wiley & Sons
ISBN: 9780470871720
Category : Science
Languages : en
Pages : 1180

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Book Description
Aniline is the parent molecule of a vast family of aromatic amines. Since its discovery in 1826 it has become one of the hundred most important building blocks in chemistry. Aniline is used as an intermediate in many different fields of applications, such as isocyanates, rubber processing chemicals, dyes and pigments, agricultural chemicals and pharmaceuticals. The understanding of functional groups is key for the understanding of all organic chemistry. In the tradition of the Patai Series, this volume treats all aspects of this functional group. It contains chapters on the theoretical and computational foundations; on analytical and spectroscopical aspects with dedicated chapters on Mass Spectrometry, NMR, IR/UV, etc.; on reaction mechanisms; on applications in syntheses.

Molecular Approach to Solids

Molecular Approach to Solids PDF Author: A.N. Lazarev
Publisher: Elsevier
ISBN: 0080536816
Category : Science
Languages : en
Pages : 375

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Book Description
The current volume in the series Vibrational Spectra and Structure is a single topic volume on the vibrational spectra of molecules containing silicon in the solid state. Molecular Approaches to Solids has been treated by the workers in the Institute for Silicate Chemistry of the Russian Academy of Science in St. Petersburg for the past two decades. In the last 15 years, a number of publications have originated from the laboratory where quantum mechanical computations for suitably selected molecules have been utilized to explain the origins of some structure bonding interrelationships and silicates and to evaluate their force constants.Since most of the developments in this area have been published in the Russian literature they remain relatively inaccessible to the Western scientists. This volume is a compilation of many of these publications and summarizes the essential conclusions of these studies.Unfortunately, Professor Lazarev passed away after he had submitted the volume for publication.

Research Awards Index

Research Awards Index PDF Author:
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 852

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Book Description


Comprehensive Biophysics

Comprehensive Biophysics PDF Author:
Publisher: Academic Press
ISBN: 0080957188
Category : Science
Languages : en
Pages : 3533

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Book Description
Biophysics is a rapidly-evolving interdisciplinary science that applies theories and methods of the physical sciences to questions of biology. Biophysics encompasses many disciplines, including physics, chemistry, mathematics, biology, biochemistry, medicine, pharmacology, physiology, and neuroscience, and it is essential that scientists working in these varied fields are able to understand each other's research. Comprehensive Biophysics, Nine Volume Set will help bridge that communication gap. Written by a team of researchers at the forefront of their respective fields, under the guidance of Chief Editor Edward Egelman, Comprehensive Biophysics, Nine Volume Set provides definitive introductions to a broad array of topics, uniting different areas of biophysics research - from the physical techniques for studying macromolecular structure to protein folding, muscle and molecular motors, cell biophysics, bioenergetics and more. The result is this comprehensive scientific resource - a valuable tool both for helping researchers come to grips quickly with material from related biophysics fields outside their areas of expertise, and for reinforcing their existing knowledge. Biophysical research today encompasses many areas of biology. These studies do not necessarily share a unique identifying factor. This work unites the different areas of research and allows users, regardless of their background, to navigate through the most essential concepts with ease, saving them time and vastly improving their understanding The field of biophysics counts several journals that are directly and indirectly concerned with the field. There is no reference work that encompasses the entire field and unites the different areas of research through deep foundational reviews. Comprehensive Biophysics fills this vacuum, being a definitive work on biophysics. It will help users apply context to the diverse journal literature offering, and aid them in identifying areas for further research Chief Editor Edward Egelman (E-I-C, Biophysical Journal) has assembled an impressive, world-class team of Volume Editors and Contributing Authors. Each chapter has been painstakingly reviewed and checked for consistent high quality. The result is an authoritative overview which ties the literature together and provides the user with a reliable background information and citation resource

Optical Spectra and Lattice Dynamics of Molecular Crystals

Optical Spectra and Lattice Dynamics of Molecular Crystals PDF Author: G.N. Zhizhin
Publisher: Elsevier
ISBN: 0080544789
Category : Science
Languages : en
Pages : 467

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Book Description
The current volume is a single topic volume on the optical spectra and lattice dynamics of molecular crystals. The book is divided into two parts. Part I covers both the theoretical and experimental investigations of organic crystals. Part II deals with the investigation of the structure, phase transitions and reorientational motion of molecules in organic crystals.In addition appendices are given which provide the parameters for the calculation of the lattice dynamics of molecular crystals, procedures for the calculation of frequency eigenvectors of utilizing computers, and the frequencies and eigenvectors of lattice modes for several organic crystals. Quite a large amount of Russian literature is cited, some of which has previously not been available to scientists in the West.

Hydrogen Bonding and Transfer in the Excited State

Hydrogen Bonding and Transfer in the Excited State PDF Author: Ke-Li Han
Publisher: John Wiley & Sons
ISBN: 1119972922
Category : Science
Languages : en
Pages : 1229

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Book Description
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.