Home > Uncategorized > Introduction to Solid State Chemistry: More MO Theory

Introduction to Solid State Chemistry: More MO Theory

Today, we’ll spend 51 minutes on MO theory, in particular the sp2 construction.

Polar molecules have a net dipole moment.

Methane is CH4. Tetrahedren, 109.5 degrees, sp3, C 2.55, H 2.2. The carbon end is a bit negative, the hydrogen end is a big positive. Is there a net charge displacement? Where is the center of positive charge/negative?

Spacially symmetric disposition of polar bonds leads to a nonpolar molecule. Energy level diagrams – Schodinger equation. From AOs to MO by the fact of linearity of the SE. Superposition holds. MO is LC of AOs.

H + H = H2
a 1sMO is bonding and lower, and the a 1sMO* andtibonding is higher

1sa + 1sb = a 1sMO + a 1sMO*

Dilithium 2s1 = 3 = a1sMO + a1MO* + a2s
This is true for all alkali metals. They pair up.

Nodes are sites of zero electron probability. Standing waves. Lobes on the outside.

s+s = a always
s + p = a always
p + p axialy = a
p + P longitudinatly = pi

Paramagnetic substances feel magnetic fields. Just because books show MOs as different colors, does not mean that the one electron is here and another is there.

Leave an unmixed p for lateral smearing of the pi bond.

NaI = 1.73
CsAu = 1.75
Cs and Au are both metals, melt to form metallic liquids. When concentration is 50%, electron transfer occurs and metalilic melt becomes a molten salt. Cesium auride is clear liquid with a big drop in conductivity.

Energy of x-y bond = (sqrt(Exx x Eyy)) + 96.3(ENx-ENy)^2 kJ/mol
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