Joint Rotational Analysis of 24 Bands of the H2Se Molecule

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

“…The overtone band 2 2 is considerably weaker than the fundamental 2 and is located about 200 cm Ϫ1 below the nearest neighbors, which are the very strong fundamentals 1 and 3 . For this reason, the R branch of the 2 2 band is partly overlapped by the considerably stronger P branches of the 1 and 3 bands.…”

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

“…It should be mentioned that the rotational energies both of the vibrational states (002) and (003) from Table 2, and of the state (001) from Ref. (3), can be reproduced with the Hamiltonian [2] within accuracies close to experimental uncertainties if the centrifugal distortion coefficients of ⌬/␦, H/h, and L/l type, i.e., in general about 70 -75 fitted parameters, are taken into account. As was discussed in Ref.…”

“…[2]; X 0 denotes the corresponding parameter for the ground vibrational state; x 3 , x 33 are the corrections that account for the differences between the parameter values for the different vibrational states (00n). In accordance with general vibrationrotation theory [see, e.g., (9)], the order of magnitude relation ͉X 0 ͉ ӷ ͉x 3 ͉ ӷ ͉x 33 ͉ ӷ ͉x 333 ͉ ӷ .…”

“…(5)), and for different isotopic species, D 2 M Se, 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 1 2 3 /( 2 Ϯ 1 2 ϯ 2 3 ) with 2 1 ϩ 2 ϭ 1, 2, 3, and 4, with a minimum number of spectroscopic parameters (2,4).…”

“…The H 2 Se molecule is one of the most prominent examples of simple triatomic "local-mode molecules" (1), and numerous theoretical investigations and experimental high-resolution infrared studies of H 2 Se spectra have been performed [see, e.g., (2) for leading references].…”