Intermolecular and Intramolecular Vibrational Energy Transfer in Unimolecular Reaction Systems PDF Download

Author: Yueh-neu Shih Lin
Publisher:
ISBN:
Category : Chemical reactions
Languages : en
Pages : 404

View

Book Description

Author: D. C. Tardy
Publisher:
ISBN:
Category :
Languages : en
Pages : 99

View

Book Description
A comprehensive review of energy transfer in thermal unimolecular systems in the period from 1920 to 1976 is given. Continuing areas of interest are described and results from related techniques are correlated. (Author).

Author: F. Crim
Publisher:
ISBN:
Category :
Languages : en
Pages : 8

View

Book Description
The research described in this Final Report was directed at studying the dynamics of vibrationally excited molecules, which are important in many energetic environments. The first goal was assembly of an ultrafast laser system producing 1 mJ, 100 fs pulses of 800 nm light, and implementing nonlinear processes for converting those pulses to infrared and ultraviolet light. This system permitted the a direct measurement of the time for intramolecular vibrational energy flow in nitric acid (HONO2) initially prepared with two quanta of O-H bond stretching excitation. The measurements showed that energy flowed out of that initially excited vibration in 12 ps, a time consistent with a coupling matrix element of about 0.08 /cm. This result on an isolated molecule sets the stage for the a similar measurement in a liquid.

Author: Shaul Mukamel
Publisher:
ISBN:
Category :
Languages : en
Pages : 15

View

Book Description
This research program resulted in 53 publications. 43 already appeared, 4 are accepted for publication, and 6 were submitted. These publications are listed at the end of the final report. The research focused in the following major areas: (1) molecular semi-classical dynamics in Liouville space; a unified description of vibrational relaxation nonlinear spectroscopy and rate processes; (ii) intramolecular vibrational redistribution; (iii) vibrational and radiative dynamics in molecular clusters; (iv) coherent and spontaneous Raman, fluorescence and four-wave mixing spectroscopy; (v) excitation transport, electron transfer, and localization in disordered molecular systems. The main accomplishments are summarized in the final report. Molecular semiclassical dynamics, Vibrational relaxation, Nonlinear spectroscopy, Energy transfer, Molecular systems. (MJM).

Author: Volkhard May
Publisher: John Wiley & Sons
ISBN: 3527339787
Category : Science
Languages : en
Pages : 549

View

Book Description
Charge and Energy Transfer Dynamics in Molecular Systems Comprehensive resource offering knowledge on charge and energy transfer dynamics in molecular systems and nanostructures Charge and Energy Transfer Dynamics in Molecular Systems provides a unified description of different charge and energy transfer phenomena in molecular systems with emphasis on the theory, bridging the regimes of coherent and dissipative dynamics and thus presenting classic rate theories as well as modern treatments of ultrafast phenomena. Starting from microscopic models, the common features of the different transfer processes are highlighted, along with applications ranging from vibrational energy flow in large polyatomic molecules, the motion of protons in solution, up to the concerted dynamics of electronic and nuclear degrees of freedom in molecules and molecular aggregates. The newly revised and updated Fourth Edition contains a more detailed coverage of recent developments in density matrix theory, mixed quantum-classical methods for dynamics simulations, and a substantially expanded treatment of time-resolved spectroscopy. The book is written in an easy-to-follow style, including detailed mathematical derivations, thus making even complex concepts understandable and applicable. Charge and Energy Transfer Dynamics in Molecular Systems includes information on: Electronic and vibrational molecular states, covering molecular Schrödinger equation, Born—Oppenheimer separation and approximation, Hartree-Fock equations and other electronic structure methods Dynamics of isolated and open quantum systems, covering multidimensional wave packet dynamics, and different variants of density operator equations Interaction of molecular systems with radiation fields, covering linear and nonlinear optical response using the correlation function approach Intramolecular electronic transitions, covering optical transition and internal conversion processes Transfer processes of electrons, protons, and electronic excitation energy Providing in-depth coverage of the subject, Charge and Energy Transfer Dynamics in Molecular Systems is an essential resource for anyone working on timely problems of energy and charge transfer in physics, chemistry and biophysics as well as for all engaged in nanoscience and organic electronics.

Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 38

View

Book Description

Author: B. S. Rabinovitch
Publisher:
ISBN:
Category :
Languages : en
Pages : 11

View

Book Description
Quantitative vibrational energy transfer data for polyatomic molecules at high levels of excitation are available from experiment at temperatures below approximate 600 K. In the treatment of systems at higher temperatures, as in shock tubes, collision efficiencies are simply transferred from low to high temperature. The theory of Tardy and Rabinovitch and Lin and Rabinovitch predicts a marked decrease in efficiency with rise of temperature. Some existing unimolecular reaction shock data is examined and some difficulties in interpretation are shown to be alleviated if decreased magnitudes for vibrational energy transfer efficiencies are employed. (Author).

Author: Wendell Forst
Publisher: Elsevier
ISBN: 0323149359
Category : Science
Languages : en
Pages : 464

View

Book Description
Theory of Unimolecular Reactions provides a comprehensive analysis of the theory of unimolecular reactions, also known to kineticists as the Rice-Marcus or the Rice-Ramsperger-Kassel-Marcus theory, and to those working in mass spectrometry and related fields as the quasi-equilibrium theory or the theory of mass spectra. This book demonstrates how theoretical parameters are related to experimental observables and describes the methods that are used to obtain useful numerical answers. This monograph consists of 11 chapters and begins by explaining the derivation of the expression for the basic rate k(E), with emphasis on the unimolecular rate constant, intramolecular energy transfer, and potential energy surfaces in unimolecular reactions. The statistical calculation of unimolecular rate under vibrational potential is also given, along with pertinent degrees of freedom. The remaining chapters explore the energy distribution functions appropriate to each system, the averaging of k(E), and the relations between theoretical and experimental parameters. Thermal reactions, chemical activation systems, and the theory of mass spectra are examined. The last chapter is devoted to the transition state and its ambiguities. This text will be of interest to gas kineticists, mass spectrometrists, and students and researchers working in the field of physical chemistry.

Author: Y.G. Smeyers
Publisher: Springer Science & Business Media
ISBN: 9401110662
Category : Science
Languages : en
Pages : 316

View

Book Description
This volume contains a selection of scientific papers related to the structure and dynamics of non-rigid molecules. This frontline topic was born a few decades ago, when Longuet-Higgins proposed his famous theory of Molecular Symmetry Groups (Mol. Phys. 6, (1962) 457). Unfortunately, since this early paper, very few publications have been devoted to the study of non-rigid molecules. Let us mention some books which dedicate some chapters to them: Induced Representations in Crystals and Molecules, by S. L. Altmann, Academic Publishers, 1977; Molecular Symmetry and Spectroscopy, by P. R. Bunker, Academic Publishers, 1979; and finally Large Amplitude Motion in Molecules, Vols. I and II, by several authors, Springer Verlag, 1979. More recently an International Symposium on Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982, the proceedings of which were published in the volume entitled Symmetries and Properties of Non-Rigid Molecules. A Comprehensive Survey, edited by J. Maruani et al., Elsevier, 1983. Finally, we should mention the very specialized work The Permutational Approach to Dynamic Stereochemistry, by J. Brocas et al., McGraw-Hill, 1983. The purpose of this book is to fill in this information on the structure and dynamics of non-rigid systems. To this aim, we have gathered a collection of recent papers written by the most qualified specialists in the world, covering a large field from van der Waals molecules to inorganic complexes and organic polyrotor molecules, as well as considering statistical and dynamic aspects.

Author: Spyros Panayotes Pavlou
Publisher:
ISBN:
Category : Isomerization
Languages : en
Pages : 206

View

Book Description