Orbitals in Chemistry

This text presents a unified and up-to-date discussion of the role of atomic and molecular orbitals in chemistry, from the quantum mechanical foundations to the recent developments and applications.

Author: Victor M. S. Gil

Publisher: Cambridge University Press

ISBN: 9780521666497

Category: Science

Page: 314

View: 828

This text presents a unified and up-to-date discussion of the role of atomic and molecular orbitals in chemistry, from the quantum mechanical foundations to the recent developments and applications. The discussion is mainly qualitative, largely based on symmetry arguments. It is felt that a sound mastering of the concepts and qualitative interpretations is needed, especially when students are becoming more and more familiar with numerical calculations based on atomic and molecular orbitals. The text is mathematically less demanding than most traditional quantum chemistry books but still retains clarity and rigour. The physical insight is maximized and abundant illustrations are used. The relationships between the more formal quantum mechanical formalisms and the traditional chemical descriptions of chemical bonding are critically established. This book is of primary interest to undergraduate chemistry students and others taking courses of which chemistry is a significant part.


Orbitals

This book describes atomic orbitals at a level suitable for undergraduates in chemistry.

Author: Charles S McCaw

Publisher: World Scientific Publishing Company

ISBN: 1783264160

Category: Science

Page: 276

View: 905

This book describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation. Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory the results are obtained from initial postulates without the need for sophisticated mathematics.

d Orbitals in the Chemistry of Silicon Phosphorus and Sulfur

This book was undertaken for the purpose of bringing together the widely diverse lines of experimental work and thinking which has been expressed but has often been unheard on the title question.

Author: H. Kwart

Publisher: Springer Science & Business Media

ISBN: 3642463428

Category: Science

Page: 222

View: 182

This book was undertaken for the purpose of bringing together the widely diverse lines of experimental work and thinking which has been expressed but has often been unheard on the title question. It will be clear to the reader that a critical viewpoint has been maintained in assembling the material of this rapidly expanding area of concern to organic chemists. It should be clear, too, that the authors are not purvey ing a singular viewpoint and do not regard the discussions presented as the ultimate word on the subject. In fact, it should be anticipated that many ofthe viewpoints pre sented may have to be altered in the light of new developments. In recognition of this and to show the wayan appendix of recent results and interpretation has been included where an alteration in viewpoint on some of the material treated in the text has been necessitated by developments in the most recent literature. This ap pendix should be regarded as the reader's opportunity to maintain currency in all aspects of this subject ifit is kept abreast of the literature. The bibliography, from which most of the material of discussion has been drawn, is organized in a somewhat unusual manner which deserves some explana tion here. A reference citation can consist of (as much as) a six space combination of letters and numerals.



Orbital Interactions in Chemistry

Explains the underlying structure that unites all disciplinesin chemistry Now in its second edition, this book explores organic,organometallic, inorganic, solid state, and materials chemistry,demonstrating how common molecular orbital ...

Author: Thomas A. Albright

Publisher: John Wiley & Sons

ISBN: 1118558251

Category: Science

Page: 834

View: 625

Explains the underlying structure that unites all disciplinesin chemistry Now in its second edition, this book explores organic,organometallic, inorganic, solid state, and materials chemistry,demonstrating how common molecular orbital situations arisethroughout the whole chemical spectrum. The authors explore therelationships that enable readers to grasp the theory thatunderlies and connects traditional fields of study withinchemistry, thereby providing a conceptual framework with which tothink about chemical structure and reactivity problems. Orbital Interactions in Chemistry begins by developingmodels and reviewing molecular orbital theory. Next, the bookexplores orbitals in the organic-main group as well as in solids.Lastly, the book examines orbital interaction patterns that occurin inorganic–organometallic fields as well as clusterchemistry, surface chemistry, and magnetism in solids. This Second Edition has been thoroughly revised andupdated with new discoveries and computational tools since thepublication of the first edition more than twenty-five years ago.Among the new content, readers will find: Two new chapters dedicated to surface science and magneticproperties Additional examples of quantum calculations, focusing oninorganic and organometallic chemistry Expanded treatment of group theory New results from photoelectron spectroscopy Each section ends with a set of problems, enabling readers totest their grasp of new concepts as they progress through the text.Solutions are available on the book's ftp site. Orbital Interactions in Chemistry is written for bothresearchers and students in organic, inorganic, solid state,materials, and computational chemistry. All readers will discoverthe underlying structure that unites all disciplines inchemistry.



Frontier Orbitals and Reaction Paths

This book is a collection of selected papers on the Frontier Orbital Theory by Nobel prizewinner Kenichi Fukui (Chemistry 1981), with introductory notes.

Author: Kenichi Fukui

Publisher: World Scientific

ISBN: 9810222416

Category: Science

Page: 543

View: 405

This book is a collection of selected papers on the Frontier Orbital Theory by Nobel prizewinner Kenichi Fukui (Chemistry 1981), with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.