Global fit of the high-resolution infrared spectrum of D2S

Joint ro-vibrational analysis of the HDS high resolution infrared data

“…[1] and we just give a simple description here. Deuterated hydrogen sulfide samples were synthesized with anhydrous sodium sulfide and deuterated phosphoric acid diluted in deuterated water.…”

“…The experimental conditions in the different absorption regions have been listed in Table 1 of Ref. [1]. The line positions were calibrated with H 2 O and CO 2 lines given by the HITRAN2004 database [12].…”

“…This method was first applied to the di-deuterated species [1] and since a general review of the high resolution spectroscopy studies on hydrogen sulfide has been presented in [1], we will give in this paper only the relevant information.…”

“…Experimental details are given in Section 2. Section 3 is devoted to a short theoretical background of the Global Fit method [1,[9][10][11] applied to the HDS molecule. The results of the assignments of the newly analyzed bands are given in Section 4 and finally Section 5 reports on the results of the global fit.…”

Calculation of the Vibrational-Rotational Energy Structure of Molecules with Tetrahedral Symmetry of the Type XY 4

“…In a large number of practical situations, this proves to be very inconvenient, in particular, when the need arises to make one or another modification to the program. In particular, all other types of modern software packages for polyatomic molecules (see, for example, [7][8][9][10][11][12][13][14][15][16][17][18][19][20], where similar problems for molecules of different types and symmetries are addressed and discussed) allow one to investigate different individual polyads of resonant vibrational bands. An important point here is that these software packages allow one to investigate highly excited states even if not all the lower-lying bands have been examined.…”