A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate, and Nitrate Compounds PDF Download
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Author: Silvia A. Brandán Publisher: Springer Science & Business Media ISBN: 9400757638 Category : Science Languages : en Pages : 90
Book Description
A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate and Nitrate Compounds presents important studies related to the structural and vibrational properties on the chromyl compounds based on Ab-initio calculations. The synthesis and the study of such properties are of chemical importance because the stereo-chemistries and reactivities of these compounds are strongly dependent on the coordination modes that adopt the different ligands linked to the chromyl group. In this book, the geometries of all stable structures in gas phase for chromyl chlorosulfate, fluorosulfate, and nitrate are optimized by using Density functional Theory (DFT). Then, the complete assignments of all observed bands in the infrared and Raman spectra are performed combining DFT calculations with Pulay ́s Scaled Quantum Mechanics Force Field (SQMFF) methodology and taking into account the type of coordination adopted by the chlorosulfate, fluorosulfate and nitrate ligands as monodentate and bidentate. Moreover, the force constants for each compound at the same levels of theory are calculated. As a result, the bond orders calculated and the topological properties of electronic charge density reveal the characteristics and nature of the different bonds in each structure.
Author: Silvia A. Brandán Publisher: Springer Science & Business Media ISBN: 9400757638 Category : Science Languages : en Pages : 90
Book Description
A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate and Nitrate Compounds presents important studies related to the structural and vibrational properties on the chromyl compounds based on Ab-initio calculations. The synthesis and the study of such properties are of chemical importance because the stereo-chemistries and reactivities of these compounds are strongly dependent on the coordination modes that adopt the different ligands linked to the chromyl group. In this book, the geometries of all stable structures in gas phase for chromyl chlorosulfate, fluorosulfate, and nitrate are optimized by using Density functional Theory (DFT). Then, the complete assignments of all observed bands in the infrared and Raman spectra are performed combining DFT calculations with Pulay ́s Scaled Quantum Mechanics Force Field (SQMFF) methodology and taking into account the type of coordination adopted by the chlorosulfate, fluorosulfate and nitrate ligands as monodentate and bidentate. Moreover, the force constants for each compound at the same levels of theory are calculated. As a result, the bond orders calculated and the topological properties of electronic charge density reveal the characteristics and nature of the different bonds in each structure.
Author: G. Pass Publisher: Springer Science & Business Media ISBN: 9401727449 Category : Science Languages : en Pages : 254
Book Description
In revising the text opportunity has been taken to introduce SI units throughout. An Appendix has been included which contains tables of SI units and a table of conversion factors for use when consulting data in non-SI units. Chapter 19 now includes experiments demon strating the use of ion-exchange and solid-liquid chromatography_ Exercises involving colorimetry have been included in Chapter 17. These techniques are introduced as part of a complementary exercise where their relevance is seen as part of a complete piece of work. Minor improvements have been made to some of the experimental procedures and we are grateful to those who have made helpful suggestions in this respect. G. PASS H. SUTCLIFFE iii Preface to the First Edition The student of inorganic chemistry is fortunate in having a wide choice of textbooks covering the descriptive and theoretical aspects of the sUbject. There is no comparable choice of textbooks covering practical inorganic chemistry. Moreover, there is a tendency for many students to draw an unfortunate distinction between chemistry taught in the lecture room, and laboratory work. Consideration of these points prompted the preparation of this book, in which we have attempted to emphasize the relationship between theory and practice.
Author: Makoto Fujita Publisher: Springer ISBN: 354046591X Category : Science Languages : en Pages : 255
Book Description
Self-assembly is undoubtedly a topic of special interest in current chemistry and is related to very wide scientific areas. Recent progress in this field seems to be featured by the construction of well-defined discrete systems exploiting complementary hydrogen bonding as well as coordination bonding. Seven leading international experts introduce the current topics in this very interesting field, focusing on two major subjects: organic assemblies and inorganic assemblies. All researchers who are interested in molecular recognition, material science, nanotechnology, and supramolecular chemistry will welcome this book as an inspiring source for creative research ideas.
Author: Ian Fleming Publisher: John Wiley & Sons ISBN: 9780471018193 Category : Science Languages : en Pages : 249
Book Description
Provides a basic introduction to frontier orbital theory with a review of its applications in organic chemistry. Assuming the reader is familiar with the concept of molecular orbital as a linear combination of atomic orbitals the book is presented in a simple style, without mathematics making it accessible to readers of all levels.
Author: Brian C.J. Moore Publisher: Springer Science & Business Media ISBN: 146141590X Category : Medical Languages : en Pages : 545
Book Description
The International Symposium on Hearing is a highly-prestigious, triennial event where world-class scientists present and discuss the most recent advances in the field of hearing research in animals and humans. Presented papers range from basic to applied research, and are of interest neuroscientists, otolaryngologists, psychologists, and artificial intelligence researchers. Basic Aspects of Hearing: Physiology and Perception includes the best papers from the 2012 International Symposium on Hearing. Over 50 chapters focus on the relationship between auditory physiology, psychoacoustics, and computational modeling.
Author: Juan J Novoa Publisher: Royal Society of Chemistry ISBN: 1788013336 Category : Science Languages : en Pages : 782
Book Description
The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.
Author: Nicola Petragnani Publisher: Elsevier ISBN: 0080474926 Category : Science Languages : en Pages : 400
Book Description
The increasing number of publications that use tellurium clearly demonstrates the important role of tellurium compounds as unique and powerful tools in a broad range of organic chemical manipulations, often characterized by their selective behavior. Tellurium in Organic Synthesis provides an overview of the principal aspects of organic tellurium chemistry. Many chapters have been enriched and updated in this second edition. New chapters include overviews of toxicology and pharmacology and a review on the preparation and reactivity of several tellurium heterocycles. The first part of the book focuses on the preparation of selected inorganic tellurium compounds and on the main classes of organotellurium compounds. The second part, and main interest of the book, details the use of these inorganic and organic compounds as reagents to perform specific organic manipulations and synthesis. Reactions covered include reduction, formation and reaction of anionic species, deprotection, tellurium cyclizations, formation of alkenes, use of vinyllic tellurides, free radical chemistry, transmetallations, and removal of tellurium. - Overview of inorganic and organic tellurium chemistry - Synthetic applications of tellurium compounds - All topics accompanied by detailed experimental procedures
Author: R.J.P Williams Publisher: Elsevier ISBN: 0080460526 Category : Science Languages : en Pages : 495
Book Description
Conventionally, evolution has always been described in terms of species. The Chemistry of Evolution takes a novel, not to say revolutionary, approach and examines the evolution of chemicals and the use and degradation of energy, coupled to the environment, as the drive behind it. The authors address the major changes of life from bacteria to man in a systematic and unavoidable sequence, reclassifying organisms as chemotypes. Written by the authors of the bestseller The Biological Chemistry of the Elements - The Inorganic Chemistry of Life (Oxford University Press, 1991), the clarity and precision of The Chemistry of Evolution plainly demonstrate that life is totally interactive with the environment. This exciting theory makes this work an essential addition to the academic and public library.* Provides a novel analysis of evolution in chemical terms* Stresses Systems Biology * Examines the connection between life and the environment, starting with the 'big bang' theory* Reorientates the chemistry of life by emphasising the need to analyse the functions of 20 chemical elements in all organisms
Author: Silvia A. Brandán
Author: Silvia A. Brandán
Author: G. Pass
Author: Makoto Fujita
Author: Ian Fleming
Author: Brian C.J. Moore
Author: J. Rigaudy
Author: Juan J Novoa
Author: Nicola Petragnani
Author: 
Author: R.J.P Williams