On Dec 2, 2011, at 18:32 , HASAN SAHIN wrote: > omega( 4 - 5) = 102.9 [cm-1] --> E > L_3 I+R > omega( 6 - 7) = 156.9 [cm-1] --> E > L_3 I+R > omega( 8 - 8) = 402.0 [cm-1] --> A_1 > L_1 I+R > omega( 9 - 10) = 719.8 [cm-1] --> E > L_3 I+R > omega( 11 - 11) = 831.9 [cm-1] --> A_1 L_1 I+R > omega( 12 - 12) = 1042.2 [cm-1] --> A_1 L_1 I+R
no inversion symmetry > omega( 4 - 5) = 104.8 [cm-1] --> E_g > L_3 R > omega( 6 - 7) = 165.5 [cm-1] --> E_u > L_3' I > omega( 8 - 8) = 398.5 [cm-1] --> A_1g L_1 R > omega( 9 - 10) = 715.3 [cm-1] --> E_g L_3 R > omega( 11 - 11) = 827.6 [cm-1] --> A_2u L_2' I > omega( 12 - 12) = 1042.5 [cm-1] --> A_1g L_1 R inversion symmetry (note the "g" and "u", standing for "gerade", even, and "ungerade", odd). In presence of inversion symmetry, Raman-active modes are even, Infrared-active modes are odd P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
