These "hydrogen-like" atomic orbitals are proper eigenstates for H, He+, Li++, Be+++ ,
etc. They also serve as useful starting points for treating many-electron atoms and
molecules in that they have been found to be good basis functions in terms of which to
expand the orbitals of most atoms and ions. In this Appendix, we will examine the sizes,
energies, and shapes of these orbitals and consider, in particular, how these properties vary
with principal quanutm number n, charge Z, and angular quantum numbers l and m.
n=1, l=0, m=0,\u03c8= (Z/ao)3/2(\u03c0)-1/2 exp(-Zr/ao)
n=2, l=0, m=0,\u03c8 = (Z/ao)3/2(2\u03c0)-1/2 (1-Zr/2ao)/2 exp(-Zr/2ao)
n=2, l=1, m=0,\u03c8 = (Z/ao)3/2(2\u03c0)-1/2 Zr/4ao cos\u03b8 exp (-Zr/2ao)
n=2, l=1, m=\u00b11,\u03c8 = (Z/ao)3/2(4\u03c0)-1/2 Zr/4ao sin\u03b8 exp(\u00b1i\u03c6) exp(-Zr/2ao)
n=3, l=0, m=0,\u03c8 = (Z/ao)3/2(3\u03c0)-1/2 [27-18Zr/ao+2(Zr/ao)2]/81
combine to give the 3dxy and 3dx2-y2 functions. These spatially directed functions are more
appropriate for use whenever one is dealing with the interaction of the atom on which these
orbitals are located with surrounding "ligands" or bonding partners which are spatially
arranged in a manner that destroys the spherical and axial symmetry of the system. One is
1. Their energies vary as -Z2/n2, so atoms with higher Z values will have more tightly
bound electrons (for the same n). In a many-electron atom, one often introduces the
concept of an effective nuclear charge Zeff, and takes this to be the full nuclear charge Z
minus the number of electrons that occupy orbitals that reside radially "inside" the orbital in
Now bringing you back...
Does that email address look wrong? Try again with a different email.
This action might not be possible to undo. Are you sure you want to continue?