Question Description
I’m working on a chemistry multi-part question and need guidance to help me learn.
Compare the MO theory description for the H2 molecule, where the wavefunction is given by equation a:
.ψ=[ψ (1)+ψ (1)][ψ (2)+ψ (2)]
a
.
ψ
=
[
ψ
A
(
1
)
+
ψ
B
(
1
)
]
[
ψ
A
(
2
)
+
ψ
B
(
2
)
]
with the VB treatment given by equation b
b
.
ψ
=
ψ
A
(
1
)
ψ
B
(
2
)
+
ψ
A
(
2
)
ψ
B
(
1
)
+
λ
[
ψ
A
(
1
)
ψ
A
(
2
)
+
ψ
B
(
1
)
ψ
B
(
2
)
]
1. What is the meaning of lambda, λ? [ Select ] [“The contribution of hybrid orbitals“, “The contribution of the molecular dipole“, “The contribution of functions describing ionic character“]
2. Under what condition(s) do the two equations become identical? [ Select ] [“λ>0 and λ<1“, “λ>1 and λ<0“, “λ=1“]
3. How does the MO theory treat the ionic character contribution to the wavefunction? [ Select ] [“The MO theory overestimates the ionic character“, “The MO theory underestimates the ionic character“, “The MO theory correctly estimates the ionic character contribution“]
