Saturation spectroscopy on the ground state of HSSH

Mittler, P.; Yamada, Kōichi; Winnewisser, G.

doi:10.1016/0009-2614(90)87102-w

Cited by 8 publications

(5 citation statements)

References 4 publications

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“…5 In Fig. 1 with the results of the variational TROVE calculations from the present work, we can understand the variation of the torsional splittings with K a : For K a =3t =0,3,6,9,..., the splittings are approximately equal, as explained in Sec.…”

Section: Discussionsupporting

confidence: 57%

Theoretical rotation-torsion energies of HSOH

Ovsyannikov

Мельников

Thiel

et al. 2008

The Journal of Chemical Physics

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The rotation-torsion energies in the electronic ground state of HSOH are obtained in variational calculations based on a newly computed ab initio CCSD(T)/aug-cc-pV(Q+d)Z potential energy surface. Using the concept of the reaction path Hamiltonian, as implemented in the program TROVE (theoretical rovibrational energies), the rotation-vibration Hamiltonian is expanded around geometries on the torsional minimum energy path of HSOH. The calculated values of the torsional splittings are in excellent agreement with experiment; the root-mean-square (rms) deviation is 0.0002 cm(-1) for all experimentally derived splittings (with J < or = 40 and K(a) < or = 4). The model provides reliable predictions for splittings not yet observed. The available experimentally derived torsion-rotation term values (with J < or = 40 and K(a) < or = 4) are reproduced ab initio with an rms deviation of 1.2 cm(-1) (0.7 cm(-1) for J < or = 20), which is improved to 1.0 cm(-1) (0.07 cm(-1) for J < or = 20) in an empirical adjustment of the bond lengths at the planar trans configuration. The theoretical torsional splittings of HSOH are analyzed in terms of an existing semiempirical model for the rotation-torsion motion. The analysis explains the irregular variation of the torsional splittings with K(a) that has been observed experimentally.

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Section: Discussionsupporting

confidence: 57%

Theoretical rotation-torsion energies of HSOH

Ovsyannikov

Мельников

Thiel

et al. 2008

The Journal of Chemical Physics

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“…By millimeter-and sub-millimeterwave techniques the lower K a Q branches were measured to high precision and in Doppler-limited resolution, i.e., the r Q K a with K a Å 0, 1, 2, 3. For the r Q 0 branch several J transitions were recorded with sub-Doppler resolution, which revealed the small torsional splitting associated with the torsional motion of the two SH bars relative to each other (4 980 GHz between the submillimeter-wave measurements and the existing Fourier transform data around 32.65 cm 01 , obtained in 1987 at the Giessen molecular spectroscopy laboratory (7). The present high-resolution recording of the r Q 4 branch serves yet as another example for the continued widening overlap of the two techniques, as the terahertz spectroscopy is pushed toward higher frequencies.…”

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confidence: 99%

TherQ4Branch of HSSH at 1.25 THz

Белов

Lewen

Klaus

et al. 1995

Journal of Molecular Spectroscopy

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“…We note that a crossover dip can occur only when the transition pair has a quantum level in common and when the level splitting is comparable with the Doppler width, which in the case of NH3 (JK = 1() 00) is 1.7 MHz. For instance, they are not present in the sub-Doppler spectra of H7St recorded previously in this laboratory [9], since in the case of H-.S-, the transition pairs arise from two distinct pairs of energy levels. The observed 14NH3 7 = 1^-0 transition is il lustrated in Figure 2.…”

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confidence: 76%

“…Rotational sub-Doppler spectroscopy has therefore historically been performed with reso nant cavities which provide the necessary high electric field strengths and fulfill the directional requirements. Work done in this laboratory by Bester et al [8] and Mittler et al [9], as well as independent millimeterwave work by Cazzoli and Dore [10], has shown that * Permanent address: Department of Physics, North Carolina State University, Raleigh, NC 27659, USA Reprint requests to Prof. Dr. G. Winnewisser.…”

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confidence: 98%

Sub-Doppler Spectroscopy of Ammonia Near 570 GHz

Belov

Klaus

Plummer

et al. 1995

Zeitschrift Für Naturforschung A

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We have employed the Cologne terahertz spectrometer [ 1,2] to observe Lamb dip and crossover phenomena in rotational spectra at 572 GHz. Because of the large power output of the backward wave oscillators used in the system, no special means are required to induce this saturation effect; the coincidentally reflected radiation from the bolometer present in our quasi-optical absorption cell is sufficient to saturate the v, = 0 sub-group. This effect has allowed the observation of the three previously unresolved hyperfine components of the l4NH3 A -S, JK = 10 -00 transition, and was also observed for the analogous NH3 transition in natural abundance (i. e. 0.366 %). These measurements indicate a possible improvement of molecular transition frequencies in the submillimeter region.

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Saturation spectroscopy on the ground state of HSSH

Cited by 8 publications

References 4 publications

Theoretical rotation-torsion energies of HSOH

Theoretical rotation-torsion energies of HSOH

TherQ4Branch of HSSH at 1.25 THz

Sub-Doppler Spectroscopy of Ammonia Near 570 GHz

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