Isotope Substitution in near Local Mode Molecules: Bending Overtonesnν2(n= 2, 3) of the HDS Molecule

Isotope Substitution in Near Local-Mode H2X Molecules: Stretching Fundamental Bands of HDSe

“…[3][4][5] into Eqs. [8] and [9] with consideration of the connections between ␣␤␥␦ and the centrifugal parameters ⌬ K , ⌬ JK , ⌬ J , ␦ K , and ␦ J usually used in spectroscopy, Ref. (15), simple formulas for the determination of the latter parameters can be derived: ⌬Ј JK , ⌬Ј J , ␦Ј K , ␦Ј J from Ref.…”

High-resolution rotational analysis of HDS: 2ν3, ν2+2ν3, 3ν3, and ν2+3ν3 bands

“…b Reproduced from [2]. including four states in present work and those in [23][24][25][26][27], the rotation-vibration coefficients a c i (i = 1,2,3) were obtained by a least square fitting. The results are presented in Table 5.…”

“…In the fitting, a z 1 and a x 3 were constrained to zero because they cannot be determined well due to limited available experimental data. In [26,27], the parameters a c i were also estimated with the isotope substitution method. For comparison, these values are also presented in Table 5.…”

“…The mono-deuterated hydrogen sulfide has been investigated up to 4000 cm À1 . Ulenikov et al studied the bands m 1 + m 2 /m 3 [23], nm 2 (n = 1,2,3) [24][25][26], and m 1 and 2m 1 /m 2 + m 3 [27]. Several empirical determinations of the potential energy surface (PES) of hydrogen sulfide have been performed [28][29][30][31], and a deviation of 0.03 cm À1 of numerical energy calculations including variant isotopes was achieved by Tyuterev et al [32].…”

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

“…This investigation is dealing with the mono-deuterated, HDS, species whose spectra were studied earlier with high resolution on several occasions [2][3][4][5][6][7][8]. The pure rotational spectrum of the HDS molecule was discussed in [2].…”