Excited States and Photochemistry of Organic Molecules

Excited States and Photochemistry of Organic Molecules PDF

Author: Martin Klessinger

Publisher: VCH Publishers

Published: 1995

Total Pages: 576

ISBN-13:

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A significantly updated translation of Lichtabsorption und Photochemie Organischer Molekule, published by VCH in 1989. A graduate textbook that provides a qualitative description of electronic excitation in organic molecules and of the associated spectroscopy, photophysics, and photochemistry. The treatment is non- mathematical and emphasizes the use of simple qualitative models for developing an intuitive feeling for the course of photophysical and photochemical processes in terms of potential energy hypersurfaces. Special attention is paid to recent developments, particularly to the role of conical intersections. Annotation copyright by Book News, Inc., Portland, OR

Excited States in Quantum Chemistry

Excited States in Quantum Chemistry PDF

Author: Cleanthes A. Nicolaides

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 572

ISBN-13: 940099902X

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It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.

Quantum Chemistry and Dynamics of Excited States

Quantum Chemistry and Dynamics of Excited States PDF

Author: Leticia González

Publisher: John Wiley & Sons

Published: 2021-02-01

Total Pages: 52

ISBN-13: 1119417759

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An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.

Rearrangements in Ground and Excited States

Rearrangements in Ground and Excited States PDF

Author: Paul de Mayo

Publisher: Academic Press

Published: 2013-10-22

Total Pages: 497

ISBN-13: 1483218716

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Rearrangement in ground and excited states, Volume 1 covers essays on the rearrangements of carbocations; gas-phase ion rearrangements; and rearrangements of carbenes and nitrenes. The book also includes essays on the free-radical rearrangements; hypothetical biradical pathways in thermal unimolecular rearrangements; and rearrangements in carbanions. Chemists and people involved in the study of rearrangements will find the book invaluable.

Rearrangements in Ground and Excited States

Rearrangements in Ground and Excited States PDF

Author: Paul de Mayo

Publisher: Academic Press

Published: 2013-10-22

Total Pages: 622

ISBN-13: 1483218732

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Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles; and the photochemical rearrangements of coordination compounds are also covered. Chemists and people involved in the study of the rearrangements in ground and excited states will find the book invaluable.

Modern Physical Organic Chemistry

Modern Physical Organic Chemistry PDF

Author: Eric V. Anslyn

Publisher: University Science Books

Published: 2006

Total Pages: 1148

ISBN-13: 9781891389313

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In additionto covering thoroughly the core areas of physical organic chemistry -structure and mechanism - this book will escortthe practitioner of organic chemistry into a field that has been thoroughlyupdated.

The Triplet State

The Triplet State PDF

Author: A. B. Zahlan

Publisher: Cambridge University Press

Published: 1967-11-02

Total Pages: 566

ISBN-13: 0521068924

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This 1967 volume brought together knowledge concerning the triplet state and defined the problems in need of solution.

Transition Metal and Rare Earth Compounds

Transition Metal and Rare Earth Compounds PDF

Author: Hartmut Yersin

Publisher: Springer

Published: 2003-07-01

Total Pages: 201

ISBN-13: 3540444742

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There exists a large literature on the spectroscopic properties of copper(II) com- 9 pounds. This is due to the simplicity of the d electron configuration, the wide variety of stereochemistries that copper(II) compounds can adopt, and the f- xional geometric behavior that they sometimes exhibit [1]. The electronic and geometric properties of a molecule are inexorably linked and this is especially true with six-coordinate copper(II) compounds which are subject to a Jahn-T- ler effect.However,the spectral-structural correlations that are sometimes d- wn must often be viewed with caution as the information contained in a typical solution UV-Vis absorption spectrum of a copper(II) compound is limited. Meaningful spectral-structural correlations can be obtained in a related series of compounds where detailed spectroscopic data is available. In the fol- 4– lowing sections two such series are examined; the six-coordinate CuF and 6 2+ Cu(H O) ions doped as impurities in single crystal hosts.Using low tempera- 2 6 ture polarized optical spectroscopy and electron paramagnetic resonance, a very detailed picture can be drawn about the geometry of these ions in both their ground and excited electronic states. We then compare the spectrosco- cally determined structural data with that obtained from X-ray diffraction or EXAFS measurements.

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