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Uploaded by: AURORE 2. This text was adapted by The Saylor Foundation under a Creative and potential of chemistry cannot be the focal point of the text and the course. FHSST Authors. The Free High School Science Texts: Textbooks for High School Students. Studying the Sciences. Chemistry. Grades 10 - The Free High School Science Texts: A Textbook for High School Students Studying Chemistry. FHSST Authors1. June 12,

Start by pressing the button below! What This Book Does and Does Not Contain This text is intended for use by beginning graduate students and advanced upper division undergraduate students in all areas of chemistry.

It provides: i An introduction to the fundamentals of quantum mechanics as they apply to chemistry, ii Material that provides brief introductions to the subjects of molecular spectroscopy and chemical dynamics, iii An introduction to computational chemistry applied to the treatment of electronic structures of atoms, molecules, radicals, and ions, iv A large number of exercises, problems, and detailed solutions. It does not provide much historical perspective on the development of quantum mechanics.

Subjects such as the photoelectric effect, black-body radiation, the dual nature of electrons and photons, and the Davisson and Germer experiments are not even discussed. To provide a text that students can use to gain introductory level knowledge of quantum mechanics as applied to chemistry problems, such a non-historical approach had to be followed.

This text immediately exposes the reader to the machinery of quantum mechanics. Sections 1 and 2 i. Section 3 Chapters and selected material from other appendices or selections from Section 6 would be appropriate for a second-quarter or second-semester course. Chapters 15 of Sections 4 and 5 would be of use for providing a link to a one-quarter or onesemester class covering molecular spectroscopy. Chapter 16 of Section 5 provides a brief introduction to chemical dynamics that could be used at the beginning of a class on this subject.

There are many quantum chemistry and quantum mechanics textbooks that cover material similar to that contained in Sections 1 and 2; in fact, our treatment of this material is generally briefer and less detailed than one finds in, for example, Quantum Chemistry, H. Eyring, J. Walter, and G. Kimball, J. Wiley and Sons, New York, N. Atkins, Oxford Univ. By covering this introductory material in less detail, we are able, within the confines of a text that can be used for a one-year or a two-quarter course, to introduce the student to the more modern subjects treated in Sections 3, 5, and 6.

Our coverage of modern quantum chemistry methodology is not as detailed as that found in Modern Quantum Chemistry, A.

Szabo and N. Ostlund, Mc Graw-Hill, New York , which contains little or none of the introductory material of our Sections 1 and 2. By combining both introductory and modern up-to-date quantum chemistry material in a single book designed to serve as a text for one-quarter, one-semester, two-quarter, or one-year classes for first-year graduate students, we offer a unique product. It is anticipated that a course dealing with atomic and molecular spectroscopy will follow the student's mastery of the material covered in Sections 1- 4.

For this reason, beyond these introductory sections, this text's emphasis is placed on electronic structure applications rather than on vibrational and rotational energy levels, which are traditionally covered in considerable detail in spectroscopy courses. In brief summary, this book includes the following material: 1.

The Section entitled The Basic Tools of Quantum Mechanics treats the fundamental postulates of quantum mechanics and several applications to exactly soluble model problems. These problems include the conventional particle-in-a-box in one and more dimensions , rigid-rotor, harmonic oscillator, and one-electron hydrogenic atomic orbitals. The concept of the Born-Oppenheimer separation of electronic and vibration-rotation motions is introduced here.

Moreover, the vibrational and rotational energies, states, and wavefunctions of diatomic, linear polyatomic and non-linear polyatomic molecules are discussed here at an introductory level. This section also introduces the variational method and perturbation theory as tools that are used to deal with problems that can not be solved exactly. The Section Simple Molecular Orbital Theory deals with atomic and molecular orbitals in a qualitative manner, including their symmetries, shapes, sizes, and energies.

This section also develops the Orbital Correlation Diagram concept that plays a central role in using WoodwardHoffmann rules to predict whether chemical reactions encounter symmetry-imposed barriers.

The Electronic Configurations, Term Symbols, and States Section treats the spatial, angular momentum, and spin symmetries of the many-electron wavefunctions that are formed as antisymmetrized products of atomic or molecular orbitals. Proper coupling of angular momenta orbital and spin is covered here, and atomic and molecular term symbols are treated. The need to include Configuration Interaction to achieve qualitatively correct descriptions of certain species' electronic structures is treated here.

The role of the resultant Configuration Correlation Diagrams in the WoodwardHoffmann theory of chemical reactivity is also developed. The Section on Molecular Rotation and Vibration provides an introduction to how vibrational and rotational energy levels and wavefunctions are expressed for diatomic, linear polyatomic, and non-linear polyatomic molecules whose electronic energies are described by a single potential energy surface.

Rotations of "rigid" molecules and harmonic vibrations of uncoupled normal modes constitute the starting point of such treatments. The Time Dependent Processes Section uses time-dependent perturbation theory, combined with the classical electric and magnetic fields that arise due to the interaction of photons with the nuclei and electrons of a molecule, to derive expressions for the rates of transitions among atomic or molecular electronic, vibrational, and rotational states induced by photon absorption or emission.

Sources of line broadening and time correlation function treatments of absorption lineshapes are briefly introduced. Finally, transitions induced by collisions rather than by electromagnetic fields are briefly treated to provide an introduction to the subject of theoretical chemical dynamics. The Section on More Quantitive Aspects of Electronic Structure Calculations introduces many of the computational chemistry methods that are used to quantitatively evaluate molecular orbital and configuration mixing amplitudes.

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The strengths and weaknesses of each of these techniques are discussed in some detail. Having mastered this section, the reader should be familiar with how potential energy hypersurfaces, molecular properties, forces on the individual atomic centers, and responses to externally applied fields or perturbations are evaluated on high speed computers. How to Use This Book: Other Sources of Information and Building Necessary Background In most class room settings, the group of students learning quantum mechanics as it applies to chemistry have quite diverse backgrounds.

In particular, the level of preparation in mathematics is likely to vary considerably from student to student, as will the exposure to symmetry and group theory. This text is organized in a manner that allows students to skip material that is already familiar while providing access to most if not all necessary background material.

This is accomplished by dividing the material into sections, chapters and Appendices which fill in the background, provide methodological tools, and provide additional details.

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Neither of these two Appendices provides a first-principles treatment of their subject matter. The students are assumed to have fulfilled normal American Chemical Society mathematics requirements for a degree in chemistry, so only a review of the material especially relevant to quantum chemistry is given in the Mathematics Review Appendix.

Likewise, the student is assumed to have learned or to be simultaneously learning about symmetry and group theory as applied to chemistry, so this subject is treated in a review and practical-application manner here.

If group theory is to be included as an integral part of the class, then this text should be supplemented e. Cotton, Interscience, New York, N. The progression of sections leads the reader from the principles of quantum mechanics and several model problems which illustrate these principles and relate to chemical phenomena, through atomic and molecular orbitals, N-electron configurations, states, and term symbols, vibrational and rotational energy levels, photon-induced transitions among various levels, and eventually to computational techniques for treating chemical bonding and reactivity.

At the end of each Section, a set of Review Exercises and fully worked out answers are given. Attempting to work these exercises should allow the student to determine whether he or she needs to pursue additional background building via the Appendices.

In addition to the Review Exercises , sets of Exercises and Problems, and their solutions, are given at the end of each section. The exercises are brief and highly focused on learning a particular skill.

They allow the student to practice the mathematical steps and other material introduced in the section. The problems are more extensive and require that numerous steps be executed.

A text-book of practical chemistry

They illustrate application of the material contained in the chapter to chemical phenomena and they help teach the relevance of this material to experimental chemistry. In many cases, new material is introduced in the problems, so all readers are encouraged to become actively involved in solving all problems. To further assist the learning process, readers may find it useful to consult other textbooks or literature references.

Several particular texts are recommended for additional reading, further details, or simply an alternative point of view.

They include the following in each case, the abbreviated name used in this text is given following the proper reference : 1. Quantum Chemistry, H. Quantum Chemistry, D. Molecular Quantum Mechanics, P. Press, Oxford, England - Atkins.

The Theory of Atomic Spectra, E. Condon and G. Shortley, Cambridge Univ. Press, Cambridge, England - Condon and Shortley. The Principles of Quantum Mechanics, P. Dirac, Oxford Univ. It is intended primarily for students in beginning chemistry courses.

Virtual Chembook - this nicely-done site by Charles Ophardt of Elmhurst College covers a wide swath of general, organic, and environmental chemistry. The text material is interesting and well written without attempting to be encyclopedic. General Chemistry Virtual Textbook - a free collection of comprehensive, in-depth treatments of various topics, intended to supplement or replace conventional textbook treatments. It is aimed mainly at the first-year college level, but advanced high school students will find much of it useful.

Steve Lower, Simon Fraser University The Chemogenesis Webbook - this extensive, excellent and comprehensive site by Mark Leach tells how chemistry emerges from the Periodic Table and bifurcates into the rich and extraordinary science that we know and experience. Chemistry tutorial series on YouTube and other video collections - a summary of the major collections, including the Khan Academy, and those done by various teachers, mostly at the high school level.

WikiBooks on Chemistry - Many topics in general chemistry are covered here, and are worth looking at. But as in any "wiki-" type project to which anyone can contribute, the quality is variable, and the visual design is primitive.

Hm... Are You a Human?

Tanner's General Chemistry - a large collection of pages on matter including quantum theory , physical chmistry, electrochemistry, and aqueous solutions. Chemistry Web Resources - this site maintained by Ron Rinehart of Monterey Peninsula College contains a wealth of material oriented toward chemical education, all well organized in a visually-attractive way.

ChemPaths: Student Resources for General Chemistry - a comprehensive collection of tutorials from the Chemical Education Digital Library KnowledgeDoor - an excellent compendium of Chemistry- and Science-related data, in many ways more comprehensive than the Handbook of Chemistry and Physics, and certainly more convenient to use.

Should be bookmarked by every serious Chemistry student! The ChemCollective student page has links to practice problems and tutorials on various topics. College physics for students of biology and chemistry - This hypertextbook by Ken Koehler is nicely organized and is the ideal place to go when your Chemistry textbook lets you down. How to pass chemistry - sound advice that is widely ignored. Chemistry Packets by veteran teacher Mark Rosengarten.

A collection of notes and worksheets in pdf format in two unit sets, one for honors, and the other for Regents Chemistry. Each unit begins with a nicely-organized set of definitions and notes, and contines with worksheets that can serve as student homework.

Although directed at the high school, these materials can serve as a good review for college chemistry students. Purdue University General Chemistry Topics - Notes and practice problems on a large number of topics.

ChemSpider "is a free chemical structure database providing fast text and structure search access to over 58 million structures from hundreds of data sources. In , I created a list of some of the better videos that I considered worth recommnding to others.

One site speciallity is the structure and naming of organic compounds. ChemistryCoach is a high school course support page of enclyclopedic proportions.

Authored by Bob Jacobs of Wilton High School, this well-organized site contains hundreds of links that will be of interest to students at both the high school and first-year college levels. ChemThink - This new site consists of a series of interactive quiz-based tutorials. There are also some laboratory simulatons.

Registration is required, but is free. Look in the left-hand frame to see what topics are available.

Materials Chemistry

Merlin's Principles of Alchemy is a chemistry hypertextbook in the form of a large set of HTML files that users download and then view with their Web browsers off-line.

It is organized in an interesting way, and is intended to support users having a wide range of backgrounds and capabilities, including home-schoolers and adult learners.In , I created a list of some of the better videos that I considered worth recommnding to others.

The Section on More Quantitive Aspects of Electronic Structure Calculations introduces many of the computational chemistry methods that are used to quantitatively evaluate molecular orbital and configuration mixing amplitudes. The ChemCollective student page has links to practice problems and tutorials on various topics. The use of the measuring rod for extreme accuracy, which apparently is stressed by Prof. This section also introduces the variational method and perturbation theory as tools that are used to deal with problems that can not be solved exactly.