Analysis of the first triad of interacting states (020), (100), and (001) of D216O from hot emission spectra

Михайленко, С.Н.; Mellau, Georg Ch.; Starikova, E.; Tashkun, S.A.; Tyuterev, Vladimir G.

doi:10.1016/j.jms.2005.05.013

Cited by 39 publications

(12 citation statements)

References 35 publications

(97 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Conversely for two previously observed vibrational bands, (0 0 2) and (0 1 2), we were able to assign transitions to the 0 00 level for the first time and determined the vibrational band origins as 5529.4377 and 6686.9928 cm À1 , respectively. A significant number of newly determined energy levels, a total of 722, belong to the series of bending states (0 1 0), (0 2 0), (0 3 0) and (0 4 0), previously analyzed in I. Mikhailenko et al [17] have shown that there is a strong perturbation at about K a = 13 between the (1 0 0) and (0 2 0) states. Our previous labeling of the (0 2 0) levels was based on intensity considerations and in particular that transitions J + 1 ‹ J are stronger for pure rotational transitions.…”

Section: Discussionmentioning

confidence: 95%

See 1 more Smart Citation

Infrared emission spectrum of hot D2O

Zobov

Ovsannikov

Shirin

et al. 2006

Journal of Molecular Spectroscopy

View full text Add to dashboard Cite

Section: Discussionmentioning

confidence: 95%

“…These studies have all been performed in absorption using room temperature samples. Until very recently [15][16][17] there were no reported spectra of hot D 2 O. It is hard to characterize excited bending states or states of high rotational excitation, particularly those with high K a , without studies of hot D 2 O.…”

Section: Introductionmentioning

confidence: 99%

Infrared emission spectrum of hot D2O

Zobov

Ovsannikov

Shirin

et al. 2006

Journal of Molecular Spectroscopy

View full text Add to dashboard Cite

“…With the emission apparatus highly excited states of H 2 O, [76][77][78] HCN, [79][80][81] and HNC 18,19 isotopologues have been successfully measured and analyzed. The implementation of the emission experiment is described in detail in a previous paper 17 to which the reader is referred for details.…”

Section: Methodsmentioning

confidence: 99%

Complete experimental rovibrational eigenenergies of HCN up to 6880 cm−1 above the ground state

Mellau

2011

The Journal of Chemical Physics

View full text Add to dashboard Cite

The [H,C,N] molecular system is a very important model system to many fields of chemical physics and the experimental characterization of highly excited vibrational states of this molecular system is of special interest. This paper reports the experimental characterization of all 3822 eigenenergies up to 6880 cm −1 relative to the ground state in the HCN part of the potential surface using high temperature hot gas emission spectroscopy. The spectroscopic constants for the first 71 vibrational states including highly excited bending vibrations up to v 2 = 10 are reported. The perturbed eigenenergies for all 20 rotational perturbations in the reported eigenenergy range have been determined. The 11 070 eigenenergies up to J = 90 for the first 123 vibrational substates are included as supplement to this paper. We show that a complete ab initio rovibrational analysis for a polyatomic molecule is possible. Using such an analysis we can understand the molecular physics behind the Schrödinger equation for problems for which perturbation theoretical calculations are no more valid. We show that the vibrational structure of the linear HCN molecule persists approximately up to the isomerization barrier and only above the barrier the accommodation of the vibrational states to the double well structure of the potential takes place.

show abstract

“…We compared our synthetic spectrum [20,21] with that of Partridge and Schwenke [21,24] (PS), which can also be used for D 2 O assignment (see, for example, [25,26]). As stated in [25] for low lying vibrational states, the (obs. À calc.)…”

Section: Line Assignmentmentioning

confidence: 99%

“…[2,4,25,26,28]), much less is known about the D 2 O transition intensities. We include in Table 2, the experimental integrated band intensities obtained as the sum of the intensities of all transitions assigned to a given band.…”

Section: Energy Levelsmentioning

confidence: 99%

Combined analysis of the high sensitivity Fourier transform and ICLAS-VeCSEL absorption spectra of D2O between 8800 and 9520cm−1

Naumenko

Leshchishina

Shirin

et al. 2006

Journal of Molecular Spectroscopy

View full text Add to dashboard Cite

The absorption spectrum of dideuterated water, D 2 O, has been recorded between 8800 and 9520 cm À1 by intracavity laser absorption spectroscopy (ICLAS) based on a vertical external cavity system emitting laser (VeCSEL) and by high sensitivity Fourier Transform spectroscopy. The combined analysis of the spectra has allowed attributing 1223 transitions to the D 2 O species. The spectrum assignment was performed on the basis of the recent results of variational calculations based on an optimized potential energy surface of D 2 O. A set of 687 energy levels was derived from transitions assigned to eight upper vibrational states, 577 of them being reported for the first time. A detailed line list has been generated. The line intensities were retrieved mainly from the FTS spectrum and the absolute integrated intensities of the 2v 1 + v 2 + v 3 and the v 2 + 3v 3 bands dominating the spectrum have been determined.

show abstract

Analysis of the first triad of interacting states (020), (100), and (001) of D216O from hot emission spectra

Cited by 39 publications

References 35 publications

Infrared emission spectrum of hot D2O

Infrared emission spectrum of hot D2O

Complete experimental rovibrational eigenenergies of HCN up to 6880 cm−1 above the ground state

Combined analysis of the high sensitivity Fourier transform and ICLAS-VeCSEL absorption spectra of D2O between 8800 and 9520cm−1

Contact Info

Product

Resources

About