Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
15P3130.9738100.000010309.7376
22Ti4847.947973.7200147.9479
Total11 357.6856
Isotopomer Natural Abundance (%)73.7200


Determined Point Group: D5h








Representation ΓN


Characters of reducible representation
E 2C5 2(C5)2 5C'2 σh 2S5 2(S5)3 v
11 1.000 1.000 1 1 1.000 1.000 3

Direct sum of irreducible representation
A'1 A'2 E'1 E'2 A''1 A''2 E''1 E''2
2 0 1 1 0 1 1 1



Representation Γ3N


Characters of reducible representation
E 2C5 2(C5)2 5C'2 σh 2S5 2(S5)3 v
33 1.618 -0.618 -1 1 -0.382 -2.618 3

Direct sum of irreducible representation
A'1 A'2 E'1 E'2 A''1 A''2 E''1 E''2
2 1 4 3 1 3 3 3

Molecular motions and force field analysis



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