Analysis of the (0 0 v3), v3 = 1, 2, 3 Vibrotational States of HDSe

High-Resolution Study of the nν2, n = 1, 2, 3, Vib–Rotational Bands of D2Se

“…(7), can be reproduced with the Hamiltonian [2] within accuracies close to experimental uncertainties if the quartic, sextic, and octic centrifugal distortion coefficients, i.e., in general about 70 -75 fitted parameters, are taken into account. However, as for the HDSe molecule, the number of fitted parameters can be considerably reduced in the present case without any loss of reproductive power of the model if the Global Fit concept successfully used in the previous studies (5,6) is also applied here.…”

“…(2) and in the present study are slightly different. This may also be a reason for minor differences between values of some of the L and l parameters obtained on the one hand from the fit (columns 4,6,8) and on the other hand by applying isotopic relations (columns 3, 5, 7). As a consequence, lines were found in the region of the 2 2 and 3 2 bands which belong to the different isotopic species.…”

“…We have shown that spectroscopic parameters obtained on the "parent molecule" H 2 Se have an impressive predictive power for the parameters describing the energy-level structures both for the monodeuterated species HDSe, and for different isotopic species HD M Se, with M ϭ 76, 77, 78, 80, and 82. Moreover, we have developed a "Global Fit" concept that enabled us to describe excited energy levels of related polyads of HD M Se, namely (v 1 v 2 v 3 )/(v 2 Ϯ 1 v 2 ϯ 2 v 3 ) with 2v 1 ϩ v 2 ϭ 1, 2, 3, 4, and (0 0 v 3 ) with v 3 ϭ 1, 2, 3, with a minimum number of spectroscopic parameters (5,6).…”

Joint Rotational Analysis of 16 Vibrational States of HD80Se

“…Thereafter, transitions belonging to the vibrational bands 2ν 2 , ν 1 + ν 2 , 3ν 2 , ν 2 + ν 3 , and 2ν 1 and to the hot band ν 1 + 2ν 2 − ν 2 were assigned (4), and the rovibrational energies of all before-mentioned vibrational states (1)(2)(3)(4) up to 3500 cm −1 were fitted together. The last of the mentioned contributions dealt with a study of the first and second overtone bands 2ν 3 and 3ν 3 (5).…”

“…This includes also all data of Refs. (1)(2)(3)(4)(5) reporting rotational energies of 16 vibrational states. The mathematical background of the "Global Fit" procedure will be outlined in Section 3.…”