A Pictorial Approach to Molecular Bonding by John G. Verkade

By John G. Verkade

Realizing molecular orbitals (MOs) is a prerequisite to appreciating many actual and chemical houses of topic. This greatly revised moment variation of A Pictorial method of Molecular Bonding offers the author's cutting edge method of MOs, producing them pictorially for a large choice of molecular geometries. a tremendous enhancement to the second one version is the computer- and Macintosh-compatible Nodegame software program, that is coordinated with the textual content and aids in pictorially instructing molecular orbital thought utilizing generator orbitals.

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Because hybrid atomic orbitals can provide valuable information about molecular orbitals, it is important to discuss some characteristics of hybrid atomic orbitals. , the state) whereas this is not true for canonical orbitals. This will be discussed again later. Let us first examine what happens when we take linear combinations of a set of three (p) orbitals. To calculate values of the (2px), (2py), and (2pz) orbital amplitudes at various locations (x, y, z) in space, we consider Equations 2-17 (2px) = [n(21X)3r l / 2(x/21X)e-(r/2a) = Kxe- kr (2py) = [n(21X)3r l / 2(y/21X)e-(r/2a) = Kye- kr (2pz) = [n(21X)3rl/2(z/21X)e-(r/2a) = Kze- kr (2-17) wherein the constants K and k are the same for x, y, and z and IX has the same meaning as discussed earlier.

If e(nlm) > 0, the electron is essentially free to move out of the vicinity of the well. Although t(nlm) can be derived rigorously from quantum mechanics, it can also be obtained by considering the Bohr model of an electron as a particle circling the nucleus at a distance R. , A. = 2nRjn. 2. Thus we can write Equation 2-11 wherein h = hj2n: t(nlm) = (~)n2. 2mR (2-11) Although we do not do so here, it can be shown that for any stable orbit in a coulombic potential the potential energy = - 2(kinetic energy).

They are halted. However, they immediately fly apart again since the potential curve describing their interaction is overall repulsive. The curve in Figure 3. Diatomic Molecules 52 U(R) U(R) ~--~----------~---R (a) r---~'-'---'------------R (b) Figure 3-1. Potential energy [U(R)] as a function of distance (R) for a repulsive (a) and an attractive (b) interaction between two atoms. Since the direction of approach of the atoms is arbitrary, the two-dimensional potential diagrams should be spun around the U(R) axis to visualize the potential energy surface.

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