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

A refined potential energy function for the electronic ground state of H2Se

“…We have compiled a large amount of literature spectroscopic data for 24 vibrational states of H 2 80 Se [1][2][3][4][5][6][7][8][9][10][11][12][13][14], 11 vibrational states of D 2 80 Se [15][16][17][18][19], and 17 vibrational states of HD 80 Se [16,17,[20][21][22][23] and have fitted 3611 rotation-vibration energy spacings (with J 6 8) associated with these vibrational states simultaneously by means of the MORBID computer program [33][34][35]. As the result of the fitting, we obtained the potential energy function for the electronic ground state of H 2 Se defined by Eqs.…”

“…As already mentioned, the corresponding calculations were carried out with the MORBID program system [33][34][35]. The input data for the fitting comprised energy spacings between rotation-vibration term values associated with • 24 vibrational states of H 2 80 Se with v 1 6 6, v 2 6 3, and v 3 6 2 [1-14], • 11 vibrational states of D 2 80 Se with v 1 6 2, v 2 6 3, and v 3 6 2 [15][16][17][18][19], and • 17 vibrational states of HD 80 Se with v 1 6 3, v 2 6 3, and v 3 6 3 [16,17,[20][21][22][23].…”

“…There is an extensive, recent literature reporting experimental studies of the rotation-vibration spectra of H 2 Se [1][2][3][4][5][6][7][8][9][10][11][12][13][14] and its deuterated isotopomers D 2 Se [15][16][17][18][19] and HDSe [16,17,[20][21][22][23]. One reason for the substantial interest in this molecule is the local mode effects (see, for example, [24]) exhibited in its vibrational states [12,13] and another is the characterization of the ''cluster effect,'' i.e., the formation of nearly degenerate, four-member sets of rotation-vibration energy levels at high rotational excitation in the rovibrational energy spectrum of H 2 Se and D 2 Se [25,26].…”

“…The first candidates for assignment are the m 1 þ m 2 þ m 3 and 2m 1 þ m 3 bands of HD 80 Se. We expect that we can improve the potential energy surface of Jensen and Kozin [31] since a large amount of experimental data, that can be used as input for the fitting, has become available since 1993 [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23]. Also, with the computers available to us now, we can extend the range of J values for the input data from J 6 5 in [31] to J 6 8 in the present work.…”

High-resolution study of the ν1+ν2 and ν2+ν3 strongly interacting bands of D2Se

“…The present contribution is a continuation of our recent study of the monodeuterated HDSe [15][16][17][18][19][20], and dideuterated D 2 Se [20][21][22] species of the H 2 Se molecule. In [21] we have analyzed the m 1 and m 3 bands of the D 2 Se species and shown that spectroscopic parameters obtained for the ''parent molecule'' H 2 Se have an impressive predictive power for the parameters describing the energy-level structures for the different dideuterated species D 2 M Se, with M = 76, 77, 78, 80, and 82.…”