Analysis of the first triad of interacting states (0 2 0), (1 0 0), and (0 0 1) of D2 16O from hot emission spectra

S. N. Mikhailenko, G. Ch Mellau, E. N. Starikova, S. A. Tashkun, Vl G. Tyuterev

Результат исследований: Материалы для журналаСтатья

24 Цитирования (Scopus)

Выдержка

The far-infrared and middle-infrared emission spectra of deuterated water vapour were measured at temperatures 1370, 1520, and 1940 K in the ranges 320-860 and 1750-3400 cm-1. The measurements were performed in an alumina cell with an effective length of hot gas of about 50 cm. More than 3550 new measured lines for the D2 16O molecule corresponding to transitions from highly excited rotational levels of the (0 2 0), (1 0 0), and (0 0 1) vibrational states are reported. These new lines correspond to rotational states with higher values of the rotational quantum numbers compared to previously published determinations: Jmax = 29 and K a(max) = 22 for the (0 2 0) state, Jmax = 29 and Ka(max) = 25 for the (1 0 0) state, and J max = 30 and Ka(max) = 23 for the (0 0 1) state. The extended set of 1987 experimental rotational energy levels for the (0 2 0), (1 0 0), and (0 0 1) vibration states including all previously available data has been determined. For the data reduction we used the generating function model. The root mean square (RMS) deviation between observed and calculated values is 0.004 cm-1 for 1952 rovibrational levels of all three vibration states. A comparison of the observed energy levels with the best available values from the literature and with the global predictions from molecular electronic potential energy surfaces of water isotopic species [H. Partridge, D.W. Schwenke, J. Chem. Phys. 106 (1997) 4618] is discussed. The latter confirms a good consistency of mass-dependent DBOC corrections in the PS potential function with new experimental rovibrational data.

Язык оригиналаАнглийский
Страницы (с-по)32-59
Число страниц28
ЖурналJournal of Molecular Spectroscopy
Том233
Номер выпуска1
DOI
СостояниеОпубликовано - сен 2005
Опубликовано для внешнего пользованияДа

Отпечаток

Electron energy levels
emission spectra
energy levels
Infrared radiation
Molecular electronics
vibration
Potential energy surfaces
Aluminum Oxide
molecular electronics
Steam
data reduction
rotational states
high temperature gases
vibrational states
quantum numbers
water vapor
Data reduction
infrared spectra
aluminum oxides
Gases

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Цитировать

Analysis of the first triad of interacting states (0 2 0), (1 0 0), and (0 0 1) of D2 16O from hot emission spectra. / Mikhailenko, S. N.; Mellau, G. Ch; Starikova, E. N.; Tashkun, S. A.; Tyuterev, Vl G.

В: Journal of Molecular Spectroscopy, Том 233, № 1, 09.2005, стр. 32-59.

Результат исследований: Материалы для журналаСтатья

Mikhailenko, S. N. ; Mellau, G. Ch ; Starikova, E. N. ; Tashkun, S. A. ; Tyuterev, Vl G. / Analysis of the first triad of interacting states (0 2 0), (1 0 0), and (0 0 1) of D2 16O from hot emission spectra. В: Journal of Molecular Spectroscopy. 2005 ; Том 233, № 1. стр. 32-59.
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title = "Analysis of the first triad of interacting states (0 2 0), (1 0 0), and (0 0 1) of D2 16O from hot emission spectra",
abstract = "The far-infrared and middle-infrared emission spectra of deuterated water vapour were measured at temperatures 1370, 1520, and 1940 K in the ranges 320-860 and 1750-3400 cm-1. The measurements were performed in an alumina cell with an effective length of hot gas of about 50 cm. More than 3550 new measured lines for the D2 16O molecule corresponding to transitions from highly excited rotational levels of the (0 2 0), (1 0 0), and (0 0 1) vibrational states are reported. These new lines correspond to rotational states with higher values of the rotational quantum numbers compared to previously published determinations: Jmax = 29 and K a(max) = 22 for the (0 2 0) state, Jmax = 29 and Ka(max) = 25 for the (1 0 0) state, and J max = 30 and Ka(max) = 23 for the (0 0 1) state. The extended set of 1987 experimental rotational energy levels for the (0 2 0), (1 0 0), and (0 0 1) vibration states including all previously available data has been determined. For the data reduction we used the generating function model. The root mean square (RMS) deviation between observed and calculated values is 0.004 cm-1 for 1952 rovibrational levels of all three vibration states. A comparison of the observed energy levels with the best available values from the literature and with the global predictions from molecular electronic potential energy surfaces of water isotopic species [H. Partridge, D.W. Schwenke, J. Chem. Phys. 106 (1997) 4618] is discussed. The latter confirms a good consistency of mass-dependent DBOC corrections in the PS potential function with new experimental rovibrational data.",
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TY - JOUR

T1 - Analysis of the first triad of interacting states (0 2 0), (1 0 0), and (0 0 1) of D2 16O from hot emission spectra

AU - Mikhailenko, S. N.

AU - Mellau, G. Ch

AU - Starikova, E. N.

AU - Tashkun, S. A.

AU - Tyuterev, Vl G.

PY - 2005/9

Y1 - 2005/9

N2 - The far-infrared and middle-infrared emission spectra of deuterated water vapour were measured at temperatures 1370, 1520, and 1940 K in the ranges 320-860 and 1750-3400 cm-1. The measurements were performed in an alumina cell with an effective length of hot gas of about 50 cm. More than 3550 new measured lines for the D2 16O molecule corresponding to transitions from highly excited rotational levels of the (0 2 0), (1 0 0), and (0 0 1) vibrational states are reported. These new lines correspond to rotational states with higher values of the rotational quantum numbers compared to previously published determinations: Jmax = 29 and K a(max) = 22 for the (0 2 0) state, Jmax = 29 and Ka(max) = 25 for the (1 0 0) state, and J max = 30 and Ka(max) = 23 for the (0 0 1) state. The extended set of 1987 experimental rotational energy levels for the (0 2 0), (1 0 0), and (0 0 1) vibration states including all previously available data has been determined. For the data reduction we used the generating function model. The root mean square (RMS) deviation between observed and calculated values is 0.004 cm-1 for 1952 rovibrational levels of all three vibration states. A comparison of the observed energy levels with the best available values from the literature and with the global predictions from molecular electronic potential energy surfaces of water isotopic species [H. Partridge, D.W. Schwenke, J. Chem. Phys. 106 (1997) 4618] is discussed. The latter confirms a good consistency of mass-dependent DBOC corrections in the PS potential function with new experimental rovibrational data.

AB - The far-infrared and middle-infrared emission spectra of deuterated water vapour were measured at temperatures 1370, 1520, and 1940 K in the ranges 320-860 and 1750-3400 cm-1. The measurements were performed in an alumina cell with an effective length of hot gas of about 50 cm. More than 3550 new measured lines for the D2 16O molecule corresponding to transitions from highly excited rotational levels of the (0 2 0), (1 0 0), and (0 0 1) vibrational states are reported. These new lines correspond to rotational states with higher values of the rotational quantum numbers compared to previously published determinations: Jmax = 29 and K a(max) = 22 for the (0 2 0) state, Jmax = 29 and Ka(max) = 25 for the (1 0 0) state, and J max = 30 and Ka(max) = 23 for the (0 0 1) state. The extended set of 1987 experimental rotational energy levels for the (0 2 0), (1 0 0), and (0 0 1) vibration states including all previously available data has been determined. For the data reduction we used the generating function model. The root mean square (RMS) deviation between observed and calculated values is 0.004 cm-1 for 1952 rovibrational levels of all three vibration states. A comparison of the observed energy levels with the best available values from the literature and with the global predictions from molecular electronic potential energy surfaces of water isotopic species [H. Partridge, D.W. Schwenke, J. Chem. Phys. 106 (1997) 4618] is discussed. The latter confirms a good consistency of mass-dependent DBOC corrections in the PS potential function with new experimental rovibrational data.

KW - D O

KW - Emission spectra

KW - First triad

KW - Hot water

KW - IR spectroscopy

KW - Rovibrational levels

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U2 - 10.1016/j.jms.2005.05.013

DO - 10.1016/j.jms.2005.05.013

M3 - Article

AN - SCOPUS:23844526188

VL - 233

SP - 32

EP - 59

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

SN - 0022-2852

IS - 1

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