By John G. Verkade

Knowing molecular orbitals (MOs) is a prerequisite to appreciating many actual and chemical homes of topic. This largely revised moment version 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. an enormous 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 idea utilizing generator orbitals.

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**Example text**

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). This equality, known as the virial theorem, is also true for quantum mechanical energies. Thus we can say tv(nlm) = - t(nlm) and from Equation 2-10 we see that e(nlm) = tv(nlm) = - t(nlm). , a = R when nand Z = 1). This means that e2 (Z)2 -Ze 2 e(nlm) = 2a(n2jZ) = - 2a n (2-l3) where -e 2j2a is the total energy of the (1s) orbital electron in hydrogen.

And then released will move apart. At the same time the potential energy U(Rd which the system had at R! ). ) corresponds to R:2: to about I O~4 cm. ) approach one another with a kinetic energy corresponding to U(Rd, they will decrease their relative velocity until at R! 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.

6: 1 3:1 1:1 1:50 0:1 Figure 2-11. Contour plots «h) = constant) of mixtures of (s) and (p) atomic orbitals showing the ratios A 2 : 8 2 . In these plots solid, dotted, and dashed lines denote regions where (h) > 0, (h) = 0, and (h) < 0, respectively. 05 Bohr- 3 / 2 and l1(h) has the same value. (Courtesy of Dr. K. ) 38 2. 05a- 3 / 2 • The ratio of a: b = A2 : H2 is given for each contour. Thus this ratio is 1 : 0 for the pure (2s) and 0 : 1 for the pure (2px). ), the orbital becomes increasingly deformed, though it retains the x axis as its axis of symmetry.