課程名稱︰無機化學一
課程性質︰化學系大三必修
課程教師︰鄭淑芬
開課學院：理學院
開課系所︰化學系
考試日期（年月日）︰2019年10月16日
考試時限（分鐘）：130分鐘
試題 :
1. What is the maximum number of electrons that can have the following quantum
numbers: (5%)
(a) n=2, l=1, m_l=-1
(b) n=3, l=2, m_l=1
(c) n=4, l=1, m_l=-1, m_s=1/2
(d) n=5, l=3
(e) n=6, l=0
2. Write the electron configurations of the following species: (8%)
(a) Ca, Ca2+ (b) Fe, Fe2+ (c) Cr, Cr3+ (d) Cu, Cu2+
3. (a) Draw pictures of the linear combinations of H 1s orbitals for a
hypothetical linear H_5 molecule.
(b) From the consideration of the number of nodes, arrange these molecular
orbitals in order of increasing energy.
(c) What is the bond order of each H-H bond in the linear H_5 molecule?
(12%)
4. Three isomers having the formula N2CO are known: ONCN(nitrosyl cyanide),
ONNC(nitrosyl isocyanide), and NOCN(isonitrosyl cyanide).
(a) Draw the most important resonance structures of these isomers, and
determine the formal charges.
(b) Which isomer do you predict to be the most stable form? Explain. (10%)
5. (a) The first ionization energies (IE) of H, C, O, and S atoms are 13.60,
11.26, 13.62 and 10.36 eV, respectively. Calculate the effective
nuclear charges for the valence electrons removed from these atoms.(8%)
(b) Estimate the effective nuclear charges for the valence electrons in (a)
by Slater's rule. (8%)
(c) Are the values of effective nuclear charges obtained in (a) and (b)
similar? Explain if they are different. (4%)
6. (a) Show the molecular orbital energy level diagram of CO, and state the
bond order. Also indicate the bonding, antibonding and non-bonding
orbitals (if any).
(b) The UV photoelectron spectrum (UPS) of CO is shown below, and Table 1
lists the stretching frequencies of C-O derived from the fine
structures of UPS spectrum. Assign the lines in the spectrum, and
correlate the bonding character of the molecular orbitals.
(c) Show the molecular orbital energy level diagram of SO, and compare the
diagram and bond order with that of CO.
(d) Predict the appearance of the UPS of the SO molecule with proper
explanations. (20%)
https://imgur.com/a/XRnLRfh
Table 1. C-O stretching frequencies derived from UPS spectrum
－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－
molecule v(cm^-1) of C-O
－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－
CO 2157
CO+ (X) 2200
CO+ (A) 1549
CO+ (B) 1706
－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－
7. Draw the structures and assign the point groups to the following compounds.
Also, indicate if the compound has optical isomer. (15%)
(a) CBrClFI (b) SF4 (c) C6H12 (chair form) (d) trans-[Cr(Cl)2(NH3)4]+
(e) [Co(NH2C2H4NH2)3]3+
8. CCl2=C=CCl2 belongs to D2d point group.
(a) Taking the long axis as z-axis and also the C2 axis, and using (x,y,z)
at the center as the basis, find the matrix representations of all
symmetry operations in D2d. (8%)
(b) Are these matrix representations reducible? (2%)
(c) Using the basis functions below, determine the following characters
(Γn) of the representations in D2d. (10%)
D2d | E 2S4 C2 2C2' 2σd | Basis
－－－－－－－－－－－－－－－－－－－－－－－－－－－
Γ1 | | (x,y,z)
－－－－－－－－－－－－－－－－－－－－－－－－－－－
Γ2 | | Rz
－－－－－－－－－－－－－－－－－－－－－－－－－－－
Γ3 | | xy
－－－－－－－－－－－－－－－－－－－－－－－－－－－
Γ4 | | (x2-y2)
9. For the following molecule, determine (i) point group, (ii) number of
normal mode vibrations, and (iii) number of the C-O stretching vibrations
to be seen in IR and Raman spectra. (10%)
O
C　Cl
| /
OC－Fe－CO
/|
Cl C
O