FIGURE 14.6 Binding and antibinding regions for a heteronuclear diatomic molecule with Zh > Z„ .
FIGURt' 14.1 Variation of the average potential and kinetic energies of a diatomic molecule. The imii of energy is taken as the electronic kinetic energy of the separated atoms.
TABLE 13.2 Properties of Homonuclear Diatomic Molecules in Their Ground Electronic States
Molecule	Ground Term	Bond Order	D,/eV	RjA	P,/cm
	%+	l 3	2.79	1.06	2322
H3		1	4.75	0.741	4403
HeJ	2v,	!	2.5	1.08	1698
He,	,s;	0	(1.0009	3.0	
Li2	's;	1	1.07	2.67	351
Be2 -	%+	0	0.10	2.45	
B2		1	3.1	1.59	1051
Q		2	6.3	1.24	1855
	2s;	21	8.85	1.12	2207
Ns	's;	3	9.91	1.10	2358
o*2		21	6.78	1.12	1905
o2		2	5.21	1.21	1580
		1	1.66	1.41	892
Ne2		0	0.0036	3.1	14
Data from K. P.'l lubcr and G. Hcrzbcrg, Constants of Diatomic Molecules (vol. IV of Molecular Spectra and Molecular Structure), Van Nostrand Reinhold, 1979; and (for Be2) V. E. Bondybev. Chem. Hi vs. Lett., 109,463 (1984).
WJ (A)
FIGURE 12-8
Differences in probability densities between (a) the bonding crg\s function and (b) the antibonding ajs function of H* according to Eq. (12-34). The two upward-pointing peaks of (b) represent a buildup of probability density outside the internuclear region; the sag between these peaks represents a decrease in probability density between the nuclei. Note that this decrease and increase are relative to the density due to two noninteracting Is2 atomic probability densities. The two downward-pointing peaks of (a) represent a decrease of probability density outside the internuclear region, and the mound between these indicates an increase of probability density between the nuclei.
FIGURE 12-12
Potential-energy curves for the ground state and three excited states of dihydrogen. The brackets after each spectroscopic term symbol indicate the MO configuration which serves as a first approximation to these states. {From W. Kotos and C. C. J. Roothann, Rev. Mod.
0        1         2        3        4        5 phys. 32:227 (19611). Reproduced by pcrmis-
Rja0--- hot of the authors.]
,r*2s
<rg2s
"J*
FIGURE 13.17   Homnnuclear diatomic MOs formed from Is, 2s, and 2p AO's.
TABLE 12-2
Molecular orbital electron configurations of the ground states of the homonuclear diatomic molecules of the first full period, including hydrogen
Molecule
MO configuration
Spectroscopic symbol
H, (la,)'
U. (l^)J('^)2(2a-,)2
He, (la-j)2(l<7jJ(2o-f)2(2<rJJ
B, (la8);(ltru)3(2«r,)J(2o-J2(l1r„)2
O, (W»)J(1«-J2(2(r8)J(2(7j2(3rrJ)2(lW„)4(l^)2 (l^)'(l<Tu)2(2<r,)2(2a-J2(lwJ4(3o-,)2(lW,r
Nc, (l(rt)2(ltrj2(20rt)2(2^)2(l Q^j^lirJ^g
■x;
■x:
fVole: The MOs are listed in order of increasing energy. Note that F, has 1 wm and 3<r, in the opposite order to O
and N2.