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Nhóm 1 (PH ) SO2
Nhóm 1 (PH ) SO2
C2v E C2 σ xz σ yz
A1 1 1 1 1 z x2, y2, z2
A2 1 1 -1 -1 Rz xy
B1 1 -1 1 -1 x, Ry xz
B2 1 -1 -1 1 y, Rz yz
Số nguyên tử 3 1 3 1
không đổi vị trí
Hệ số đóng góp 3 -1 1 1
Γ mol 9 -1 1 3
Bước 3
n 1
A 1= ( 9.1 .1±1.1 .1+3.1.1+1.1 .1) =3
4
n 1
A 2= (9.1.1+ ( −1) .1.1+ 3.−1.1+1.−1.1 )=1
4
C2v E C2 σ xz σ yz
A1 1 1 1 1 z x2, y2, z2
A2 1 1 -1 -1 Rz xy
B1 1 -1 1 -1 x, Ry xz
B2 1 -1 -1 1 y, Rz yz
Γ stretch 2 0 0 2
n 1
B 1= ( 9.1 .1+ ( −1) .(−1).1+3.−1.1+1.1 .1 )=2
4
n 1
B 2= ( 9.1.1±1.−1.1+3.1 .1+1.−1.1 ) =3
4
Bước 4
Γ mol =3 A 1+ A 2+ 2 B1 +3 B2
Γ vib=
Γ mol −Γ trans−Γ rot=
4 A 1 + A 2 +2 B1 +3 B2−( A1 + B1 +B 2 )−( A 2+ B1 + B2 )
Γ vib=2 A 1 +B 2
Bước 5: Γ vib= Γ stretch+ Γ bend
n 1
A 1= ( 2.1.1+0.1 .1+2.1 .1+0.1 .1 ) =1
4
n 1
A 2= (2.1.1+ ( 0 ) .1.1+2.−1.1+0.−1.1 )=0
4
n 1
B 1= (2.1.1+0.(−1).1+2.−1.1+0.1.1 )=0
4
n 1
B 2= ( 2.1.1+0.−1.1 +2.1 .1+ 0.−1.1) =1
4
Γ stretch=A 1 + B2
A1’ 1 1 1 1 1 1 X2+y2,
z2
A2’ 1 1 -1 1 1 -1 RZ
E’ 2 -1 0 2 -1 0 (x, y) (x2-y2,
xy)
A1’’ 1 1 1 -1 -1 -1
A2’’ 1 1 -1 -1 -1 1 z
E’’ 2 -1 0 -2 1 0 (RX, (xz,
Ry) yz)
Γ mol 12