Techniques for Inorganic Chemistry

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Opis: Techniques for Inorganic Chemistry - J Fackler Jr.

Inorganic chemistry continues to generate much current interest due to its array of applications, ranging from materials to biology and medicine. "Techniques in Inorganic Chemistry" assembles a collection of articles from international experts who describe modern methods used by research students and chemists for studying the properties and structures of inorganic chemicals. Crystallography and diffraction methods - The book begins by examining developments in small-molecule x-ray crystallography. It identifies some of the major advances, discusses current attitudes toward crystallography and its uses, and considers challenges and future prospects. It then examines how ab initio x-ray powder diffraction (XRPD) methods are used to determine structure, with discussions on metal pyrazolates, metal imidazolates, and metal pyrimidinolates. This is followed by a description of single crystal neutron diffraction, a powerful structural technique. The text highlights what can presently be achieved in neutron diffraction and discusses future applications of neutron scattering. Quantum chemistry - Reflecting the popularity of density functional calculations, the book includes a chapter that focuses on quantum chemistry. It examines the latest computational techniques and describes how these techniques can be applied to solve a wide range of real-world problems encountered in the realm of inorganic chemistry and particularly in transition metal chemistry. It also explains the intelligent use of quantum chemical methods for the determination of molecular structure, reactivity, and spectra of coordination and organometallic compounds. Spectroscopy - Lastly, the text explores important spectroscopic approaches. It first describes intermolecular nuclear Overhauser effect (NOE) NMR experiments and diffusion experiments, offering examples that demonstrate theoretical aspects of the methodology. The final chapter summarizes recent experimental and theoretical work on pressure effects on the d-d and luminescence spectra of transition metal complexes. Derived from select articles in "Comments on Inorganic Chemistry", this volume provides a solid background in the array of techniques available in the researcher's toolkit. "... it is a superb information source ... it will appeal to experts in the field who continuously update their knowledge to state of the art standards." -Marie Walsh, Department of Applied Science, Limerick Institute of Technology, IrelandCurrent Developments in Small-Molecule X-Ray Crystallography; W. Clegg Some Recent Developments Attitudes, Uses, and Abuses Current Challenges and Future Prospects X-Ray Powder Diffraction Characterization of Polymeric Metal Diazolates; N. Masciocchi, S. Galli, and A. Sironi Brief Description of the Ab Initio XRPD Technique, as Implemented and Developed in Our Laboratories (1993-2009) Metal Pyrazolates Metal Imidazolates Metal Pyrimidinolates Single Crystal Neutron Diffraction for the Inorganic Chemist-A Practical Guide; P. M. B. Piccoli, T. F. Koetzle, and A. J. Schultz Practical Matters: The Experiment Neutrons Find Light Atoms in the Presence of Heavy Atoms Neutrons Can Distinguish Among Atoms of Similar Atomic Number Neutrons Determine Magnetic Structure Neutrons Produce Data Free of the Influence of Electronic Effects A Note on Powder Diffraction The Future Adventures of Quantum Chemistry in the Realm of Inorganic Chemistry; C. A. Tsipis Applying Computational Quantum Chemistry Methods Electronic Structure Calculation Methods Basic Principles and Terminology of Ab Initio Methods Correlated or Post-HF Models Basic Principles and Terminology of Semiempirical Methods Basic Principles and Terminology of Density Functional Methods Quality and Reliability of Quantum Chemical Results Capabilities of Computational Quantum Chemistry Methods Geometry Optimization Single-Point Energy Calculations Predicting Barriers and Reaction Paths Molecular Orbitals and Electron Density Atomic Charges, Dipole Moments, and Multipole Moments Electrostatic Potentials Vibrational Frequencies NMR Chemical Shifts Ionization Energies and Electron Affinities Time-Dependent Calculations Inorganic Chemistry by Electronic Structure Calculation Methods Exploring Bonding and Nonbonding Intermetallic MaE"aE"aE"M Interactions Exploring the Mechanism of Catalytic Gas Phase Reactions Involving Transition Metals Exploring the Catalytic Cycle of Synthesis Reactions Catalyzed by Transition-Metal-Containing Catalysts NMR Techniques for Investigating the Supramolecular Structure of Coordination Compounds in Solution; G. Ciancaleoni, C. Zuccaccia, D. Zuccaccia, and A. Macchioni NOE NMR Exchange Spectroscopy Diffusion NMR Combining NOE and Diffusion NMR Measurements Pressure-Induced Change of d-d Luminescence Energies, Vibronic Structure, and Band Intensities in Transition Metal Complexes; C. Reber, J. K. Grey, E. Lanthier, and K. A. Frantzen One-Dimensional Normal Coordinate Model Pressure Effects on Vibronic Progressions and Band Energies: Metal-Oxo Complexes Pressure-Induced Increase of Luminescence Intensities: Square-Planar Complexes Index


Szczegóły: Techniques for Inorganic Chemistry - J Fackler Jr.

Tytuł: Techniques for Inorganic Chemistry
Autor: J Fackler Jr.
Producent: CRC Press Inc.
ISBN: 9781439815144
Rok produkcji: 2010
Ilość stron: 219
Oprawa: Twarda
Waga: 0.48 kg


Recenzje: Techniques for Inorganic Chemistry - J Fackler Jr.

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Techniques for Inorganic Chemistry

Inorganic chemistry continues to generate much current interest due to its array of applications, ranging from materials to biology and medicine. "Techniques in Inorganic Chemistry" assembles a collection of articles from international experts who describe modern methods used by research students and chemists for studying the properties and structures of inorganic chemicals. Crystallography and diffraction methods - The book begins by examining developments in small-molecule x-ray crystallography. It identifies some of the major advances, discusses current attitudes toward crystallography and its uses, and considers challenges and future prospects. It then examines how ab initio x-ray powder diffraction (XRPD) methods are used to determine structure, with discussions on metal pyrazolates, metal imidazolates, and metal pyrimidinolates. This is followed by a description of single crystal neutron diffraction, a powerful structural technique. The text highlights what can presently be achieved in neutron diffraction and discusses future applications of neutron scattering. Quantum chemistry - Reflecting the popularity of density functional calculations, the book includes a chapter that focuses on quantum chemistry. It examines the latest computational techniques and describes how these techniques can be applied to solve a wide range of real-world problems encountered in the realm of inorganic chemistry and particularly in transition metal chemistry. It also explains the intelligent use of quantum chemical methods for the determination of molecular structure, reactivity, and spectra of coordination and organometallic compounds. Spectroscopy - Lastly, the text explores important spectroscopic approaches. It first describes intermolecular nuclear Overhauser effect (NOE) NMR experiments and diffusion experiments, offering examples that demonstrate theoretical aspects of the methodology. The final chapter summarizes recent experimental and theoretical work on pressure effects on the d-d and luminescence spectra of transition metal complexes. Derived from select articles in "Comments on Inorganic Chemistry", this volume provides a solid background in the array of techniques available in the researcher's toolkit. "... it is a superb information source ... it will appeal to experts in the field who continuously update their knowledge to state of the art standards." -Marie Walsh, Department of Applied Science, Limerick Institute of Technology, IrelandCurrent Developments in Small-Molecule X-Ray Crystallography; W. Clegg Some Recent Developments Attitudes, Uses, and Abuses Current Challenges and Future Prospects X-Ray Powder Diffraction Characterization of Polymeric Metal Diazolates; N. Masciocchi, S. Galli, and A. Sironi Brief Description of the Ab Initio XRPD Technique, as Implemented and Developed in Our Laboratories (1993-2009) Metal Pyrazolates Metal Imidazolates Metal Pyrimidinolates Single Crystal Neutron Diffraction for the Inorganic Chemist-A Practical Guide; P. M. B. Piccoli, T. F. Koetzle, and A. J. Schultz Practical Matters: The Experiment Neutrons Find Light Atoms in the Presence of Heavy Atoms Neutrons Can Distinguish Among Atoms of Similar Atomic Number Neutrons Determine Magnetic Structure Neutrons Produce Data Free of the Influence of Electronic Effects A Note on Powder Diffraction The Future Adventures of Quantum Chemistry in the Realm of Inorganic Chemistry; C. A. Tsipis Applying Computational Quantum Chemistry Methods Electronic Structure Calculation Methods Basic Principles and Terminology of Ab Initio Methods Correlated or Post-HF Models Basic Principles and Terminology of Semiempirical Methods Basic Principles and Terminology of Density Functional Methods Quality and Reliability of Quantum Chemical Results Capabilities of Computational Quantum Chemistry Methods Geometry Optimization Single-Point Energy Calculations Predicting Barriers and Reaction Paths Molecular Orbitals and Electron Density Atomic Charges, Dipole Moments, and Multipole Moments Electrostatic Potentials Vibrational Frequencies NMR Chemical Shifts Ionization Energies and Electron Affinities Time-Dependent Calculations Inorganic Chemistry by Electronic Structure Calculation Methods Exploring Bonding and Nonbonding Intermetallic MaE"aE"aE"M Interactions Exploring the Mechanism of Catalytic Gas Phase Reactions Involving Transition Metals Exploring the Catalytic Cycle of Synthesis Reactions Catalyzed by Transition-Metal-Containing Catalysts NMR Techniques for Investigating the Supramolecular Structure of Coordination Compounds in Solution; G. Ciancaleoni, C. Zuccaccia, D. Zuccaccia, and A. Macchioni NOE NMR Exchange Spectroscopy Diffusion NMR Combining NOE and Diffusion NMR Measurements Pressure-Induced Change of d-d Luminescence Energies, Vibronic Structure, and Band Intensities in Transition Metal Complexes; C. Reber, J. K. Grey, E. Lanthier, and K. A. Frantzen One-Dimensional Normal Coordinate Model Pressure Effects on Vibronic Progressions and Band Energies: Metal-Oxo Complexes Pressure-Induced Increase of Luminescence Intensities: Square-Planar Complexes Index

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Cena 483,68 PLN
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Szczegóły: Techniques for Inorganic Chemistry - J Fackler Jr.

Tytuł: Techniques for Inorganic Chemistry
Autor: J Fackler Jr.
Producent: CRC Press Inc.
ISBN: 9781439815144
Rok produkcji: 2010
Ilość stron: 219
Oprawa: Twarda
Waga: 0.48 kg


Recenzje: Techniques for Inorganic Chemistry - J Fackler Jr.

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