The overlap detail for the different orbitals is represented as
2.2 Water Molecule, as Example of Triatomic Molecule
We assume the following base of atomic orbitals u 1 ¼ 1s H1 u 2 ¼ 1s H2 u 3 ¼ 1s O
u 5 ¼ 2p Ox u 6 ¼ 2p Oy u 7 ¼ 2p Oz (Scheme 2.3) in C 2v symmetry group
E
C 2
r(xz)
r(yz)
v T
6
0
2
4
A 1
1
1
1
1
A 2
1
1
–1
–1
B 1
1
–1
1
–1
B 2
1
–1
–1
1
v T = 3 A 1 + 2 B 2 + B 1
–
–
–
–
+
+
–
+
–
+
–
+
+
–
+
+
3σ g
+
1л υ
1л g
x,y
z
z
z
z
3σ υ
+
x,y
Overlap of p orbitals in omonuclear diatomic molecules
Scheme 2.3 Water molecule
representation
2.1 Homonuclear Diatomic Molecules A-A of the Periodic Table First …
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