Inorganic chemistry, quantum

The concept of chemical periodicity is central to the study of inorganic chemistry. No other generalization rivals the periodic table of the elements in its ability to systematize and rationalize known chemical facts or to predict new ones and suggest fruitful areas for further study. Chemical periodicity and the periodic table now find their natural interpretation in the detailed electronic structure of the atom indeed, they played a major role at the turn of the century in elucidating the mysterious phenomena of radioactivity and the quantum effects which led ultimately to Bohr s theory of the hydrogen atom. Because of this central position it is perhaps not surprising that innumerable articles and books have been written on the subject since the seminal papers by Mendeleev in 1869, and some 700 forms of the periodic table (classified into 146 different types or subtypes) have been proposed. A brief historical survey of these developments is summarized in the Panel opposite. 

Labarre JF (1978) Conformational Analysis in Inorganic Chemistry Semi-Empirical Quantum Calculation vs. Experiment. 35 1-35 Lammers M, Follmann H (1983) The Ribonucleotide Reductases A Unique Group of Metalloenzymes Essential for Cell Proliferation. 54 27-91 Le Brun NE, Thomson AJ, Moore GR (1997) Metal Centres of Bacterioferritins of Non-Heam-Iron-Containing Cyrochromes 6557. 88 103-138... 

Labarre, J. F. Conformational Analysis in Inorganic Chemistry Semi-Empirical Quantum Calculation vs. Experiment. Vol. 35, pp. 1-35. 

Sharpe, A. G. (1992). Inorganic Chemistry. Longman, New York. Chapter 2 presents a good account of the development of the quantum mechanical way of doing things in chemistry. 

In order to systematize the procedures and basic premises of quantum mechanics, a set of postulates has been developed that provides the usual starting point for studying the topic. Most books on quantum mechanics give a precise set of rules and interpretations, some of which are not necessary for the study of inorganic chemistry at this level. In this section, we will present the postulates of quantum mechanics and provide some interpretation of them, but for complete coverage of this topic the reader should consult a quantum mechanics text such as those listed in the references at the end of this chapter. 

In this chapter, a brief review of quantum mechanical methods and the arrangement of electrons in atoms has been presented. These topics form the basis for understanding how quantum mechanics is applied to problems in molecular structure and the chemical behavior of the elements. The properties of atoms discussed in Chapter 1 are directly related to how the electrons are arranged in atoms. Although the presentation in this chapter is not exhaustive, it provides an adequate basis for the study of topics in inorganic chemistry. Further details can be found in the references. 

IV. The Assumption of a Standard Geometrical Model Its Use when Quantum Chemistry Is Applied to Inorganic Chemistry... 

Gas-phase electron diffraction is the technique of choice for many special problems of molecular structure determination. However, it has not become a mass-producing technique like X-ray crystallography or the quantum chemical calculations. With the proliferation of quantum chemical calculations some of the problems, namely, the accurate determination of relatively simple organic molecules that used to be solved by gas-phase electron diffraction have moved to the realm of these calculations. There are a wealth of other problems, mainly in inorganic chemistry, that still necessitate the application of this rather demanding but instructive and amazing approach. 

We agree totally with these statements, especially as we were able to prove by ourselves during several years how powerful a concerted use of many physical methods could be (including quantum chemistry) for conformational analysis within the field of molecular inorganic chemistry However, some limits of such approaches... 

Other simplified quantum treatments, such as the Lewis electron pair and orbital overlap models, have proved useful in teaching and they give qualitative predictions of the structures of molecular compounds, but they become unwieldy when applied to solids. They have not proved to be particularly helpful in the description of the complex structures found in inorganic chemistry and have therefore not been widely used in this field. 

This book is divided into four parts. Part I provides a theoretical derivation of the bond valence model. The concept of a localized ionic bond appears naturally in this development which can be used to derive many of its properties. The remaining properties, those dependent on quantum mechanics, are, as in the traditional ionic model, fitted empirically. Part II describes how the model provides a natural approach to understanding inorganic chemistry while Part 111 shows how the limitations of three-dimensional space lead to new and unexpected properties appearing in the inorganic chemistry of solids. Finally, Part IV explores applications of the model in disciplines as different as condensed matter physics and biology. The final chapter examines the relationship between the bond valence model and other models of chemical bonding. 

J.-F. Labarre Conformational Analysis in Inorganic Chemistry Semi-Empiric Quantum Calculations vs. Experiment D. B. Cook Hie Approximate Calculation of Molecular Electronic Structures as a Theory ofValence... 

Boca, R. Theoretical Foundations of Molecular Magnetism (Current Methods in Inorganic Chemistry) , Elsevier Science Amsterdam, 1999. Reiher, M. Wolf, A. Relativistic Quantum Chemistry -, Wiley-VCH Weinheim, 2009. 

Inorganic chemistry draws its strength from its great practical utility, and this book presents the subject from the standpoint of applications rather than the customary one of quantum mechanical bonding theory. Since the quintessential subject matter is the properties of the 112 known chemical elements and their compounds, we begin with a consideration of the availability of the commonest elements in the Earth s crust (Table 1.1), hydrosphere (i.e., oceans, lakes, rivers, snowfields, ice caps, and glaciers), and atmosphere, along with brief summary of the production and uses of these elements and their compounds. 

---