By John G. Verkade
Knowing molecular orbitals (MOs) is a prerequisite to appreciating many actual and chemical houses of subject. This commonly revised moment variation of A Pictorial method of Molecular Bonding provides the author's cutting edge method of MOs, producing them pictorially for a wide selection of molecular geometries. a big enhancement to the second one variation is the computer- and Macintosh-compatible Nodegame software program, that is coordinated with the textual content and aids in pictorially educating molecular orbital idea utilizing generator orbitals.
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Extra info for A Pictorial Approach to Molecular Bonding
In Figure 2-10b the unit vector has been placed along the y axis. Then the projection of r onto e denoted by Peer) and shown in Figure 2-lOc is given by the so-called "dot product" (e' r) which is defined in Equation 2-18: Peer) = (e' r) = ~x + 11Y + (z. (2-18) Since the three orbitals in Equations 2-17 are each a function of a single coordinate, Equation 2-18 can be recast into Equations 2-19 which are algebraic expressions for the projections of r onto the three coordinate axes: 35 Hybrid Orbitals I I I\ I I (x, y, z) - - - ..............
The orientation of the full set of2p hybrids along the new unit vectors d 1 , d z , d 3 , d4 · 43 Equivalent Sp2 Hybrid Orbitals 1 Vi ------~~---L 1 ___ Y yI2 x Figure 2-15. The orientation of the unit vector d, in the xy plane. z f--+--Y Figure 2-16. The orientation of the unit vectors d" d 2 , d 3 , d4 in space. 7. Equivalent Sp2 Hybrid Orbitals Ifwe mix (2s) with two (p) orbitals, say, (2px) and (2py), three hybrid AOs are produced whose axes lie in the xy plane. That the axes of such a hybrid set lie in the xy plane is reasonable since the (2px) and (2py) contours when algebraically combined with the (2s) must give hybrid AOs which are symmetrical with respect to this plane which cuts through them.
This relationship is also true for R # Ro if the nuclei are held at R, except that Ro in Equation 3-1 is replaced by R. The total electronic energy Eel(RO) must be the dominant contribution to D = - U(Ro) at Ro, since the repulsion term e 2 ZAZB/Ro is always positive, whereas Eel(RO)' of course, must be negative for stable molecules. 2. Generator and' Molecular Orbitals The electronic structure and energy of a molecule is determined by the occupied MOs. What do MOs look like? Like AOs, they possess lobes and nodes.
A Pictorial Approach to Molecular Bonding by John G. Verkade