Point Group D8h



D8h E 2C8 2C4 2(C8)3 C2 4C'2 4C''2 i 2(S8)3 2S4 2S8 σh v d
A1g 1 1 1 1 1 1 1 1 1 1 1 1 1 1
A2g 1 1 1 1 1 -1 -1 1 1 1 1 1 -1 -1
B1g 1 -1 1 -1 1 1 -1 1 -1 1 -1 1 1 -1
B2g 1 -1 1 -1 1 -1 1 1 -1 1 -1 1 -1 1
E1g 2 2cos(π/4) 0 -2cos(π/4) -2 0 0 2 2cos(π/4) 0 -2cos(π/4) -2 0 0
E2g 2 0 -2 0 2 0 0 2 0 -2 0 2 0 0
E3g 2 -2cos(π/4) 0 2cos(π/4) -2 0 0 2 -2cos(π/4) 0 2cos(π/4) -2 0 0
A1u 1 1 1 1 1 1 1 -1 -1 -1 -1 -1 -1 -1
A2u 1 1 1 1 1 -1 -1 -1 -1 -1 -1 -1 1 1
B1u 1 -1 1 -1 1 1 -1 -1 1 -1 1 -1 -1 1
B2u 1 -1 1 -1 1 -1 1 -1 1 -1 1 -1 1 -1
E1u 2 2cos(π/4) 0 -2cos(π/4) -2 0 0 -2 -2cos(π/4) 0 2cos(π/4) 2 0 0
E2u 2 0 -2 0 2 0 0 -2 0 2 0 -2 0 0
E3u 2 -2cos(π/4) 0 2cos(π/4) -2 0 0 -2 2cos(π/4) 0 -2cos(π/4) 2 0 0


Additional information

Number of symmetry elements h = 32
Number of classes, irreps n = 14
Abelian group no
Optical Isomerism (Chirality) no
Polar no
Parity yes


Reduce representation to irreducible representations


E 2C8 2C4 2(C8)3 C2 4C'2 4C''2 i 2(S8)3 2S4 2S8 σh v d



Genrate representation from irreducible representations


A1g A2g B1g B2g E1g E2g E3g A1u A2u B1u B2u E1u E2u E3u




Examples

Cyclooctatetraene Dianion Sulflower Uranocene (eclipsed)



Direct products of irreducible representations


Binary products
A1g A2g B1g B2g E1g E2g E3g A1u A2u B1u B2u E1u E2u E3u
A1g A1g
A2g A2gA1g
B1g B1gB2gA1g
B2g B2gB1gA2gA1g
E1g E1gE1gE3gE3gA1g⊕A2g⊕E2g
E2g E2gE2gE2gE2gE1g⊕E3gA1g⊕A2g⊕B1g⊕B2g
E3g E3gE3gE1gE1gB1g⊕B2g⊕E2gE1g⊕E3gA1g⊕A2g⊕E2g
A1u A1uA2uB1uB2uE1uE2uE3uA1g
A2u A2uA1uB2uB1uE1uE2uE3uA2gA1g
B1u B1uB2uA1uA2uE3uE2uE1uB1gB2gA1g
B2u B2uB1uA2uA1uE3uE2uE1uB2gB1gA2gA1g
E1u E1uE1uE3uE3uA1u⊕A2u⊕E2uE1u⊕E3uB1u⊕B2u⊕E2uE1gE1gE3gE3gA1g⊕A2g⊕E2g
E2u E2uE2uE2uE2uE1u⊕E3uA1u⊕A2u⊕B1u⊕B2uE1u⊕E3uE2gE2gE2gE2gE1g⊕E3gA1g⊕A2g⊕B1g⊕B2g
E3u E3uE3uE1uE1uB1u⊕B2u⊕E2uE1u⊕E3uA1u⊕A2u⊕E2uE3gE3gE1gE1gB1g⊕B2g⊕E2gE1g⊕E3gA1g⊕A2g⊕E2g

Ternary Products
Quaternary Products



Symmetric powers [Γn] of degenerate irreducible representations
Vibrational overtones


irrep 2] 3] 4] 5] 6]
E1g A1g⊕E2gE1g⊕E3gA1g⊕B1g⊕B2g⊕E2gE1g⊕2E3gA1g⊕B1g⊕B2g⊕2E2gMore
E2g A1g⊕B1g⊕B2g2E2g2A1g⊕A2g⊕B1g⊕B2g3E2g2A1g⊕A2g⊕2B1g⊕2B2gMore
E3g A1g⊕E2gE1g⊕E3gA1g⊕B1g⊕B2g⊕E2g2E1g⊕E3gA1g⊕B1g⊕B2g⊕2E2gMore
E1u A1g⊕E2gE1u⊕E3uA1g⊕B1g⊕B2g⊕E2gE1u⊕2E3uA1g⊕B1g⊕B2g⊕2E2gMore
E2u A1g⊕B1g⊕B2g2E2u2A1g⊕A2g⊕B1g⊕B2g3E2u2A1g⊕A2g⊕2B1g⊕2B2gMore
E3u A1g⊕E2gE1u⊕E3uA1g⊕B1g⊕B2g⊕E2g2E1u⊕E3uA1g⊕B1g⊕B2g⊕2E2gMore



Spherical harmonics and Multipoles
Symmetric Powers of Γxyz


Spherical Harmonics Yl / Multipole Symmetric Power [Γl(xyz)]
l 2l+1 Multipole Symmetry Rank l(xyz)]
s (l=0) 1 Monopole A1g 1 A1g
p (l=1) 3 Dipole A2u⊕E1u 3 A2u⊕E1u
d (l=2) 5 Quadrupole A1g⊕E1g⊕E2g 6 2A1g⊕E1g⊕E2g
f (l=3) 7 Octupole A2u⊕E1u⊕E2u⊕E3u 10 2A2u⊕2E1u⊕E2u⊕E3u
g (l=4) 9 Hexadecapole A1g⊕B1g⊕B2g⊕E1g⊕E2g⊕E3g 15 3A1g⊕B1g⊕B2g⊕2E1g⊕2E2g⊕E3g
h (l=5) 11 Dotricontapole A2u⊕B1u⊕B2u⊕E1u⊕E2u⊕2E3u 21 3A2u⊕B1u⊕B2u⊕3E1u⊕2E2u⊕3E3u
i (l=6) 13 Tetrahexacontapole A1g⊕B1g⊕B2g⊕E1g⊕2E2g⊕2E3g 28 4A1g⊕2B1g⊕2B2g⊕3E1g⊕4E2g⊕3E3g
j (l=7) 15 Octacosahectapole A2u⊕B1u⊕B2u⊕2E1u⊕2E2u⊕2E3u 36 4A2u⊕2B1u⊕2B2u⊕5E1u⊕4E2u⊕5E3u
k (l=8) 17 256-pole 2A1g⊕A2g⊕B1g⊕B2g⊕2E1g⊕2E2g⊕2E3g 45 6A1g⊕A2g⊕3B1g⊕3B2g⊕5E1g⊕6E2g⊕5E3g
l (l=9) 19 512-pole A1u⊕2A2u⊕B1u⊕B2u⊕3E1u⊕2E2u⊕2E3u 55 A1u⊕6A2u⊕3B1u⊕3B2u⊕8E1u⊕6E2u⊕7E3u
m (l=10) 21 1024-pole 2A1g⊕A2g⊕B1g⊕B2g⊕3E1g⊕3E2g⊕2E3g 66 8A1g⊕2A2g⊕4B1g⊕4B2g⊕8E1g⊕9E2g⊕7E3g
n (l=11) 23 2048-pole A1u⊕2A2u⊕B1u⊕B2u⊕3E1u⊕3E2u⊕3E3u 78 2A1u⊕8A2u⊕4B1u⊕4B2u⊕11E1u⊕9E2u⊕10E3u
o (l=12) 25 4096-pole 2A1g⊕A2g⊕2B1g⊕2B2g⊕3E1g⊕3E2g⊕3E3g 91 10A1g⊕3A2g⊕6B1g⊕6B2g⊕11E1g⊕12E2g⊕10E3g
More

First nonvanshing multipole: Quadrupole

Further Reading

  • A. Gelessus, W. Thiel, W. Weber. J. Chem. Educ. 72 505 (1995)
    Multipoles and symmetry




Ligand Field, dn term splitting


Term symbols for electronic configurations dn
dn Term Symbols
d1 = d9 2D
d2 = d8 1S, 1D, 1G, 3P, 3F
d3 = d7 2P, 2D (2), 2F, 2G, 2H, 4P, 4F
d4 = d6 1S (2), 1D (2), 1F, 1G (2), 1I, 3P (2), 3D, 3F (2), 3G, 3H, 5D
d5 2S, 2P, 2D (3), 2F (2), 2G (2), 2H, 2I, 4P, 4D, 4F, 4G, 6S


Term splitting in point group D8h
L 2L+1 Term Splitting
S (L=0) 1 A1g
P (L=1) 3 A2g⊕E1g
D (L=2) 5 A1g⊕E1g⊕E2g
F (L=3) 7 A2g⊕E1g⊕E2g⊕E3g
G (L=4) 9 A1g⊕B1g⊕B2g⊕E1g⊕E2g⊕E3g
H (L=5) 11 A2g⊕B1g⊕B2g⊕E1g⊕E2g⊕2E3g
I (L=6) 13 A1g⊕B1g⊕B2g⊕E1g⊕2E2g⊕2E3g


Last update August, 12th 2020 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement