Quantum Chemical Calculations of the Excited States of Porphyrins PDF Download
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Author: C. J. Suess
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: C. J. Suess
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: Oleksandr Loboda
Publisher: Springer Science & Business Media
ISBN: 3642318444
Category : Technology & Engineering
Languages : en
Pages : 161
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Book Description
This book presents theoretical studies of electronic structure, optical and spectroscopic properties of a number of compounds such as porphyrins, fullerenes and heteroatomic single-wall nanotubes. The book presents new, faster calculation methods for application in quantum-chemical theory of electronic structures. It addresses issues of practical importance such as the development of materials for photosensitizers, organic LEDs and solar cells.
Author: David Dolphin
Publisher: Elsevier
ISBN: 0323146333
Category : Science
Languages : en
Pages : 550
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Book Description
The Porphyrins, Volume IV: Physical Chemistry, Part B focuses on the physical chemistry of porphyrins, their precursors, catabolic derivatives, and related compounds. The book covers nuclear magnetic resonance (NMR) spectroscopy of diamagnetic and paramagnetic porphyrins and electron nuclear double resonance (ENDOR) spectroscopy of chlorophylls and related systems. It also encompasses electron spin resonance (ESR) spectroscopy of porphyrin pi cations and anions, porphyrin excited states, metalloporphyrins, hemoproteins, and hemes. This volume is organized into nine chapters and begins with an overview of NMR theory and the use of NMR spectroscopy to study diamagnetic porphyrins and paramagnetic metalloporphyrins. The discussion then shifts to the theory of ENDOR spectroscopy and the application of ENDOR spectroscopy to analysis of chlorophylls, ESR of pi cations and anions of porphyrins as well as porphyrin excited states, and electron paramagnetic resonance and Mossbauer spectra of hemoproteins. The reader is also introduced to ESR and the electronic structure of metalloporphyrins. A chapter on Mossbauer spectroscopy of iron porphyrins concludes the book. This book is a valuable resource for inorganic, organic, physical, and biochemists interested in the physical chemistry of porphyrins.
Author: Roger Guilard
Publisher: World Scientific
ISBN: 981439761X
Category : Science
Languages : en
Pages : 2068
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Book Description
This is the fifth set of Handbook of Porphyrin Science.Porphyrins, phthalocyanines and their numerous analogues and derivatives are materials of tremendous importance in chemistry, materials science, physics, biology and medicine. They are the red color in blood (heme) and the green in leaves (chlorophyll); they are also excellent ligands that can coordinate with almost every metal in the Periodic Table. Grounded in natural systems, porphyrins are incredibly versatile and can be modified in many ways; each new modification yields derivatives, demonstrating new chemistry, physics and biology, with a vast array of medicinal and technical applications.As porphyrins are currently employed as platforms for study of theoretical principles and applications in a wide variety of fields, the Handbook of Porphyrin Science represents a timely ongoing series dealing in detail with the synthesis, chemistry, physicochemical and medical properties and applications of polypyrrole macrocycles. Professors Karl Kadish, Kevin Smith and Roger Guilard are internationally recognized experts in the research field of porphyrins, each having his own separate area of expertise in the field. Between them, they have published over 1500 peer-reviewed papers and edited more than three dozen books on diverse topics of porphyrins and phthalocyanines. In assembling the new volumes of this unique handbook, they have selected and attracted the very best scientists in each sub-discipline as contributing authors.This handbook will prove to be a modern authoritative treatise on the subject as it is a collection of up-to-date works by world-renowned experts in the field. Complete with hundreds of figures, tables and structural formulas, and thousands of literature citations, all researchers and graduate students in this field will find the Handbook of Porphyrin Science an essential, major reference source for many years to come.
Author: David Dolphin
Publisher: Elsevier
ISBN: 0323143903
Category : Science
Languages : en
Pages : 655
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Book Description
The Porphyrins, Volume III: Physical Chemistry, Part A deals with the physical chemistry of porphyrins, their precursors, catabolic derivatives, and related systems. The book covers electronic structure and spectroscopy including circular dichroism and magnetic circular dichroism as well as electronic, infrared, resonance Raman, and Zeeman spectroscopy. Porphyrin stereochemistry, X-ray crystallography, and mass spectroscopy are also included. This volume is organized into 12 chapters and begins with an overview of the optical absorption and emission spectra of porphyrins and the theory by which these facts are understood. The discussion then shifts to the electronic states of the iron porphyrin complex in various heme proteins as displayed by the light absorption properties in the visible region of the electromagnetic spectrum. The reader is methodically introduced to the electronic absorption spectra and molecular orbital theory of chlorophylls, the magnetic optical activity of porphyrins and hemoproteins, and circular dichroism studies of hemoproteins. The book also examines the mass spectra and infrared spectroscopy of porphyrins, resonance Raman scattering from metalloporphyrins and hemoproteins, and photographic essay of porphyrins and related macrocycles. It then concludes with a chapter on high-resolution Zeeman spectroscopy of metalloporphyrins. This book should be useful to inorganic, organic, physical, and biochemists interested in the physical chemistry of porphyrins.
Author: Karl M Kadish
Publisher: World Scientific
ISBN: 9814518824
Category : Science
Languages : en
Pages : 2301
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Book Description
This is the seventh set of Handbook of Porphyrin Science.Porphyrins, phthalocyanines and their numerous analogue and derivatives are materials of tremendous importance in chemistry, materials science, physics, biology and medicine. They are the red color in blood (heme) and the green in leaves (chlorophyll); they are also excellent ligands that can coordinate with almost every metal in the Periodic Table. Grounded in natural systems, porphyrins are incredibly versatile and can be modified in many ways; each new modification yields derivatives, demonstrating new chemistry, physics and biology, with a vast array of medicinal and technical applications.As porphyrins are currently employed as platforms for study of theoretical principles and applications in a wide variety of fields, the Handbook of Porphyrin Science represents a timely ongoing series dealing in detail with the synthesis, chemistry, physicochemical and medical properties and applications of polypyrrole macrocycles. Professors Karl Kadish, Kevin Smith and Roger Guilard are internationally recognized experts in the research field of porphyrins, each having his own separate area of expertise in the field. Between them, they have published over 1500 peer-reviewed papers and edited more than three dozen books on diverse topics of porphyrins and phthalocyanines. In assembling the new volumes of this unique handbook, they have selected and attracted the very best scientists in each sub-discipline as contributing authors.This handbook will prove to be a modern authoritative treatise on the subject as it is a collection of up-to-date works by world-renowned experts in the field. Complete with hundreds of figures, tables and structural formulas, and thousands of literature citations, all researchers and graduate students in this field will find the Handbook of Porphyrin Science an essential, major reference source for many years to come.
Author: Tatiya Chokbunpiam
Publisher:
ISBN:
Category : Molecular structure
Languages : en
Pages : 152
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Book Description
Author: Leticia González
Publisher: John Wiley & Sons
ISBN: 1119417724
Category : Science
Languages : en
Pages : 688
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Book Description
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.
Author: Penelope J. Brothers
Publisher: John Wiley & Sons
ISBN: 1119129311
Category : Science
Languages : en
Pages : 887
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Book Description
FUNDAMENTALS OF PORPHYRIN CHEMISTRY An indispensable and concise overview of the chemistry of porphyrins and related molecules In Fundamentals of Porphyrin Chemistry: A 21st Century Approach, a team of distinguished researchers delivers a compact and accessible introduction to the broad field of porphyrin chemistry. It discusses the basics of porphyrin synthesis and structure, as well as that of related molecules, and the current and future roles that porphyrins play in chemical transformations, materials design and synthesis, energy capture and transduction, human health, and the environment. This edited volume is a self-contained tutorial on concepts of critical importance to porphyrin chemistry and serves as the foundation for discussions about the applications of porphyrin-related compounds found in the second volume. This book contains: A thorough introduction to porphyrins, including their structure, nomenclature, naturally occurring porphyrins, synthetic porphyrins, and common families of porphyrin-related compounds Comprehensive explorations of chemical porphyrin synthesis, including how to synthesize porphyrins from simple, symmetric, and advanced ABCD-substituted porphyrins Practical discussions of the physical characteristics of porphyrins, including their structural features, electronic structure, spectroscopy, magnetism, electrochemistry, and electron transfer processes Perfect for experienced academic researchers in the field of porphyrin chemistry seeking a quick reference, Fundamentals of Porphyrin Chemistry: A 21st Century Approach is also an indispensable resource for researchers new to the field who need an overview directing them to literature in more focused areas.
Author: Karl M Kadish
Publisher: World Scientific
ISBN: 9813143541
Category : Science
Languages : en
Pages : 1590
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Book Description
Porphyrins, phthalocyanines and their numerous analogs and derivatives are materials of tremendous importance in chemistry, materials science, physics, biology and medicine. They comprise the red color in blood (heme) and the green in leaves (chlorophyll); they are also excellent ligands that can coordinate with almost every metal in the Periodic Table. Grounded in natural systems, porphyrins are incredibly versatile and can be modified in many ways; each new modification yields derivatives demonstrating new chemistry, physics and biology, with a vast array of medicinal and technical applications.Because porphyrins are currently employed as platforms for study of theoretical principles and applications in a wide variety of fields, the Handbook of Porphyrin Science represents a timely ongoing series dealing in detail with the synthesis, chemistry, physicochemical and medical properties and applications of polypyrrole macrocycles. It is noteworthy that every year, new applications for tetrapyrrole ligands are developed and exploited.Professors Karl Kadish, Kevin Smith and Roger Guilard are internationally recognized experts in the research field of porphyrinoids, each having his own separate but complementary area of expertise in the field. Between them, they have published over 1750 peer-reviewed papers and jointly edited more than 55 books on diverse topics related to porphyrins and phthalocyanines. In assembling the set of new volumes of this unique handbook, they have selected and attracted the very best scientists in each sub-discipline as contributing authors.The Handbook of Porphyrin Science will prove to be a modern authoritative treatise on the subject as it continues as a collection of up-to-date works by world-renowned experts in the field. Complete with hundreds of figures, tables and structural formulas, and thousands of literature citations, all researchers and graduate students in this field will find it to be an essential, major reference source now, and for many years to come.
