# SEARCH

** Atomic orbitals wave functions **

** Hybridization hybrid atomic orbital **

The coefficient 1/V2 is a normalization constant. We call these sp hybrid atomic orbitals because they are formed as the sum or difference of one s orbital and one p orbital. Like the familiar s and p orbitals, a hybrid AO is a one-electron wave function whose amplitude is defined at every point in space. Its amplitude at each point is the sum or difference of the other orbitals in the equation that defines the hybrid. Its square at each point gives the probability density for finding the electron at that point, when the electron is in the hybrid orbital. [Pg.257]

The chemist s sketches, which are typically drawn to emphasize directionality of the sp hybrid orbitals, and a contour plot of the actual shape, are shown in Figure 6.44. Each of these contours can be rotated about the x-y plane to produce a three-dimensional isosurface whose amplitude is chosen to be a specific fraction of the maximum amplitude of the wave function. These isosurfaces demonstrate that sp hybridization causes the amplitude of the boron atom to be pooched out at three equally spaced locations around the equator of the atom (see Fig. 6.42). The 2p orbital is not involved and remains perpendicular to the plane of the sp hybrids. The standard chemist s sketches of the sp hybrid orbitals and a contour plot that displays the exact shape and directionality of each orbital are shown in Figure 6.44. The isosurfaces shown in Figure 6.43 were generated from these contour plots. [Pg.260]

The triple bond in acetylene, like that in nitrogen, is composed of one a and two tt bonds and here also the tt bonds arc formed between electrons in non-hybridized p states. The a electrons, two to each carbon atom, are located in sp hybrid orbitals, formed by the linear combination of one s and one p wave function, as in beryllium, and the molecule is therefore linear. The arrangement of bonds is shown diagrammatically in Figure si. In a similar way the triple bond in the nitrile group G N is composed also of one n and two tt bonds. [Pg.77]

The significance of term A was defined in section 1.17.1. Factor f is analogous (ratio A/ defines the polarity of the bond) and parameters e and s describe the hybridization state of the orbitals. Because cos e = 0.093 (Duncan and Pople, 1953), molecular hybrid orbitals ) and are composed essentially of the wave functions of atomic orbitals 2p of oxygen and D of hydrogen. The value 0.578 obtained for cos s also indicates that orbitals (0 and are essentially of type sp. Figure 8.1C shows the formation of hybrid MOs [Pg.481]

Let us consider the simplest possible case of a system which consists of two orbitals, XaW / (l) with energies sa and sb which can interact. It should be emphasized here that these may be orbitals of any kind, atomic orbitals, group orbitals, or complicated MOs. We wish to investigate the results of the interaction between them, that is, what new wave functions are created and what their energies are. Let us also be clear about what the subscripts A and B represent. The subscripts denote orbitals belonging to two physically distinct systems the systems, and therefore the orbitals, are in separate positions in space. The two systems may in fact be identical, for example two water molecules or two sp hybrid orbitals on the same atom or on different but identical atoms (say, both C atoms). In this case, ea = cb- Or the two systems may be different in [Pg.35]

** Atomic orbitals wave functions **

** Hybridization hybrid atomic orbital **

© 2019 chempedia.info