A prediction of the octad polyad of 12CD4

The irreducible tensoriel formalism Developed in ICB (Laboratoire interdisciplinaire de Bourgogne Dijon France), allowing to build the Hamiltonian operator, is used as base of calculation in all our work. The important Three spectral regions of 12CD4 are : The Dyad (ν2,ν4) extending from 920 cm−1 to 1270 cm−1, the Pentad (2ν4, ν2+ν4, ν1, 2ν2,ν3) extending from 1849 cm-1 to 2330 cm-1 and The Octad (3ν4, ν2+2ν4, ν1+ν4, ν3+ν4, 2ν2+ν4, ν1+ν2, ν2+ν3, 3ν2) extending from 3000 cm−1 to 3500 cm-1. The analysis and all the calculations are executed with all the software SPVIEW and XTDS implementing the tensoriel formalism developed in ICB. We chose to determine the Dyad Hamiltonian parameters (72 parameters), and the Pentad Hamiltonian parameters (206 parameters), and to realize a global adjustment of all the data available on this two polyads (Dyad and Pentad). In the prediction of the Octad, among 459 parameters which enter in the development of Octad Hamiltonian, 72 parameters are relative of Dyad and 206 of the...