Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.984466.0470
5B1111.009380.1000222.0186
Total8 28.0656
Isotopomer Natural Abundance (%)64.1001


Determined Point Group: D2h








Representation ΓN


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
8 0 2 2 0 4 6 2

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
3 0 1 0 0 1 1 2



Representation Γ3N


Characters of reducible representation
E C2.(z) C2.(y) C2.(x) i σ.(xy) σ.(xy) σ.(xy)
24 0 -2 -2 0 4 6 2

Direct sum of irreducible representation
A1g B1g B2g B3g A1u B1u B2u B3u
4 3 3 2 1 4 3 4

Molecular motions and force field analysis



Last update July, 8th 2020 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement