Theories valence-shell electron-pair repulsion

Because of this tendency, they are frequently drawn with only six electrons around the boron. 

Other boron compounds that do not fit simple electron-dot structures include the hydrides, such as B2H6, and a large an ay of more complex molecules. Their structures are discussed in Chapters 8 and 15. 

VALENCE SHELL ELECTRON PAIR REPULSION THEORY 

Valence shell electron pair repulsion theory (VSEPR) provides a method for predicting the shape of molecules, based on the electron pair electrostatic repulsion. It was described by Sidgwick and Powell in 1940 and further developed by Gillespie and Nyholm in 1957. In spite of this method s very simple approach, based on Lewis electron-dot structures, the VSEPR method predicts shapes that compare favorably with those determined experimentally. However, this approach at best provides approximate shapes for molecules, not a complete picture of bonding. The most common method of determining the actual stmctures is X-ray diffraction, although electron diffraction, neutron diffraction, and many types of spectroscopy are also used. In Chapter 5, we will provide some of the molecular orbital arguments for the shapes of simple molecules. 

Carbon dioxide is an example with two bonding positions (SN = 2) on the central atom and double bonds in each direction. The electrons in each double bond must be between C and O, and the repulsion between the electrons in the double bonds forces 

5 Valence Shell Electron Pair Repulsion Theory 

Molecular geometry is the general shape of a molecule as determined by the relative positions of the various atomic nuclei. A number of physical properties such as melting point, boiling point, density and a number of chemical properties are based on the molecular geometry. A very useful model to predict the general shape of a molecule was developed by Gillespie and Nyholm in 1957. The theory called the Valence Shell Electron Pair Repulsion (VSEPR pronounced as vesper) theory is an 

Electron pairs around the central atom in a molecule stay as far apart as possible. The shape of the molecule is determined by repulsions between the electron pairs present in the valence shell. 

The central atom hybridizes suitably to accommodate both bonding and nonbonding electron pairs. 

A non-bonding or a lone pair of electrons takes up more room on the surface of the atom than a bonding pair. 

Molecules of different covalent substances possess a wide variety of geometric shapes and structures that dictate whether they are symmetrical or non-symmetrical and whether they are polar or nonpolar, and thus what properties they will have. 

The theoretical basis for a molecule possessing a particular geometric shape is the concept that electron pairs, whether they are part of a covalent bond (as in a bonding pair) or not (as in a nonbonding pair), will repel each other. In methane, water, and all other molecules, this repulsion means that the electron pairs will get as far away from each other as they can get. The general name for this theory is the valence-shell electron-pair repulsion (VSEPR) theory. 

Four regions of high electron density Two bonding regions Two nonbonding regions 

H C H Four bonding regions H Zero nonbonding regions 

The basic ideas of the valence shell electron pair repulsion (VSEPR) theory are  

A central atom is any atom that is bonded to more than one other atom. We fust count the number of electron groups around the centml atom, as follows  

Each bonded atom is counted as one electron group for VSEPR, regardless of tvhether the bonding is single, double, or triple. 

Each lone pair of valence electrons on the central atom is counted as one electron grotip /or VSEPR. 

The extension of molecular orbital theory to triatomic molecules is a major part of this chapter. It gives a very satisfactory description of the shapes and the bonding of molecules in general, and is consistent with observations of photoelectron and electronic absorption spectra. It is not possible for the VSEPR theory to explain these latter observations. 

The basis of the VSEPR theory is that the shape of a molecule (or the geometry around any particular atom connected to at least two other atoms) is assumed to be dependent upon the minimization of the repulsive forces operating between the pairs of sigma (a) valence electrons. This is an important restriction. Any pi (7t) or delta (8) pairs are discounted in arriving at a decision about the molecular shape. The terms sigma , pi and delta refer to the type of overlap undertaken by the contributory atomic orbitals in producing the molecular orbitals, and are referred to by their Greek-letter symbols in the remainder of the book. 

Number of o electron pairs Distribution of electron pairs Bond angles Type of hybridization 

Q The valence shell of the central atom of a molecule possesses two bonding and three non-bonding pairs of electrons. State, with reasoning, the shapes of (i) the electron pair distribution and (ii) the molecule. 

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Valence shell electron pair repulsion theory, 1, 564 Valence tautomerism photochromic processes and, 1, 387 y-Valerolactone, o -allyl-a -2-(pyrido[2,3-6]-imidazolyl)-synthesis, 5, 637 Validamycin A as fungicide, 1, 194 Valinomycin... 

Valence shell electron pair repulsion theory, 1,32-39 effective bond length ratios, 1.34 halogenium species, 3, 312 noble gas compounds, 3,312 repulsion energy coefficient, 1, 33 Valency... 

Now that we know how to determine hybridization states, we need to know the geometry of each of the three hybridization states. One simple theory explains it all. This theory is called the valence shell electron pair repulsion theory (VSEPR). Stated simply, all orbitals containing electrons in the outermost shell (the valence shell) want to get as far apart from each other as possible. This one simple idea is all you need to predict the geometry around an atom. First, let s apply the theory to the three types of hybridized orbitals. 

In one respect the valence shell electron-pair repulsion theory is no better (and no worse) than other theories of molecular structure. Predictions can only be made when the constitution is known, i.e. when it is already known which and how many atoms are joined... 

To derive the values of the coefficients at, Ph y, and 8i so that the bond energy is maximized and the correct molecular structure results, the mutual interactions between the electrons have to be considered. This requires a great deal of computational expenditure. However, in a qualitative manner the interactions can be estimated rather well that is exactly what the valence shell electron-pair repulsion theory accomplishes. 

Redress can be obtained by the electron localization function (ELF). It decomposes the electron density spatially into regions that correspond to the notion of electron pairs, and its results are compatible with the valence shell electron-pair repulsion theory. An electron has a certain electron density p, (x, y, z) at a site x, y, z this can be calculated with quantum mechanics. Take a small, spherical volume element AV around this site. The product nY(x, y, z) = p, (x, y, z)AV corresponds to the number of electrons in this volume element. For a given number of electrons the size of the sphere AV adapts itself to the electron density. For this given number of electrons one can calculate the probability w(x, y, z) of finding a second electron with the same spin within this very volume element. According to the Pauli principle this electron must belong to another electron pair. The electron localization function is defined with the aid of this probability ... 

Due to the simplicity and the ability to explain the spectroscopic and excited state properties, the MO theory in addition to easy adaptability for modern computers has gained tremendous popularity among chemists. The concept of directed valence, based on the principle of maximum overlap and valence shell electron pair repulsion theory (VSEPR), has successfully explained the molecular geometries and bonding in polyatomic molecules. 

VSEPR theory The VSEPR (valence shell electron-pair repulsion) theory says that the electron pairs around a central atom will try to get as far as possible from each other in order to minimize the repulsive forces. This theory is used to predict molecular geometry. 

Gibson model, 38 174-176 Gillespie-Nyholm valence shell electron-pair repulsion theory, 18 325 Glass-formers , 4 294 Glauber s salt, 4 17... 

Valence shell electron pair repulsion theory was applied to all the examples used in the chapter. 

The molecular structures adopted by simple carbonyl complexes are generally compatible with predictions based on valence shell electron pair repulsion theory. Three representative examples from the first transition series are shown in Fig. 15.2. 

VALENCE SHELL ELECTRON PAIR REPULSION THEORY 32... 

The most useful approach in predicting the stereochemistry of coordination compounds is the Valence Shell Electron Pair Repulsion theory (VSEPR theory), which is based on the idea that the electron pairs around an atom will be arranged so as to minimize the repulsion between them. The qualitative foundations of this field were laid by Sidgwick and Powell1 in 1940 and by Gillespie... 

A recent electron diffraction study has shown that the structure is consistent with those predicted by the Valence Shell Electron Pair Repulsion Theory (137). 

Atoms are bound into molecules by shared pairs of electrons. Electrons dislike each other because like charges repel each other. Therefore, whether they are lone pairs of electrons or bonding pairs of electrons, electron pairs try to get as far apart in space as is geometrically possible. There is a fancy name that summarizes these simple ideas the VSEPR theory, which stands for Valence Shell Electron Pair Repulsion Theory. Even though the VSEPR theory is founded on fundamentally simple ideas, it is a tremendously powerful tool for predicting the shapes of molecules. 

The valence shell electron pair repulsion theory states the all electrons in a molecule mutually repel each other and achieve a geometry so that the bonding pairs and lone pairs of electrons are as far apart in space as possible. This theory allows one to predict the shape and geometry of a molecule. 

Various have been developed and theories put forward to find an answer to the questions like why the molecules acquire a particular shape and what decides the bond lengths, bond angles and bond strength of the bonds that hold atoms in a molecule. One of these is Valence Shell Electron Pair Repulsion Theory (VSEPR Theory). 

The shapes of molecules are determined by actual experiments, not by theoretical considerations. But we do not want to have to memorize the shape of each molecule. Instead, we would like to be able to look at a Lewis structure and predict the shape of the molecule. Several models enable us to do this. One of the easiest to use is valence shell electron pair repulsion theory, which is often referred to by its acronym VSEPR (pronounced vesper ). As the name implies, the theory states that pairs of electrons in the valence shell repel each other and try to stay as far apart as possible. You probably remember this theory from your general chemistry class. The parts of VSEPR theory that... 

If an attempt were made to apply the rules of valence shell electron pair repulsion theory to radicals, it would not be clear how to treat the single electron. Obviously, a single electron should not be as large as a pair of electrons, but it is expected to result in some repulsion. Therefore, it is difficult to predict whether a radical carbon should be sp2 hybridized with trigonal planar geometry (with the odd electron in a p orbital), sp3 hybridized with tetrahedral geometry (with the odd electron in an sp3 AO), or somewhere in between. Experimental evidence is also somewhat uncertain. Studies of the geometry of simple alkyl radicals indicate that either they are planar or, if they are pyramidal, inversion is very rapid. 

Valence shell electron pair repulsion theory... 

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