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※ 編輯: whaleswin16 來自: 140.112.7.59 (04/25 19:15)
課程名稱︰化學鍵
課程性質︰化學系選修課程
課程教師︰王瑜
開課學院：理學院
開課系所︰化學系
考試日期（年月日）︰2010, April 23
考試時限（分鐘）：120 mins
是否需發放獎勵金：YES!!
（如未明確表示，則不予發放）
試題 :
1. The atomic wave function or atomic orbital (AO) can be described as
Ψ (r,θ,φ) = Ｒ (r)Ｙ (θ,φ)
n,l,m n,l l,ml
Briefly state the physical picture of R and Y parts and what is the essence
2 2
of n,l,m? Given the Ｙ (θ,φ) as sin θcos2φ and sin θsin2φ;
2,±2
illustrated the shapes of these two functions; point out the nodal plane
if there is any. (20%)
2. In homo-nuclear diatomic molecules of the 2nd row elements, there are two
molecular orbital (MO) energy level schemes: one for Z<8, the other for
Z>8. Give two schemes and state what are the differences and why so?
According to such MO E levels, predict the magnetic property and the bond
order of B2, C2, N2, O2. (20%)
3. Work out the MOs for H3 first; use this as a base to work out the MOs for
H6 in linear, hexagonal ring and planar >─< shape respectively, which one
do you expect to be the most stable one? (20%)
4. Try to find the orbital correlation (Walsh diagram) for AH3 in triangle
planar and in T shape; where A is 2nd row element. (20%)
_
5. Cyclo-pentadienylm C5H5 is often used as a ligand in metal complex through
its π-interactions (η5-). Describe all the available π-orbitals; which
one(s) is the highest occupied MO (HOMO)? Which one(s) is the LUMO? What
types of AO in metal can be bonded to the HOMO ans LUMO respectively? (20%)
6. Construct the MO for H4 in tetrahedral and butterfly (shown below; given
that Hc-Hd is linear and Ha-O-Hb is 120 degree; all H-H or H-O distance
are kept the same) geometries. Find their orbital correlations. (20%)
● Hc
／∣
Hb ● ∣
/ \ ∣O
Ha ● \ ∣
＼ \∣
● Hd
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