Shifting temperature dependence of nitrogen-broadened lines in theν2band of H2O

Lavrentieva, N. N.; Osipova, A.; Sinit︠s︡a, L. N.; Claveau, Ch.; Valentin, A.

doi:10.1080/00268970802159948

Cited by 9 publications

(6 citation statements)

References 26 publications

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“…For the line shifts this relation works well [18] when the shift behaviour with temperature variation is quite regular (Equation (8) does not describe a change of sign). It is the case for the shifts considered in the present paper.…”

Section: Resultsmentioning

confidence: 85%

“…In [13][14][15][16][17][18][19] it has been shown that for polar active molecules the semiempirical approach gives quite accurate parameters values. The results of these calculations are actually included in a freely-available carbon dioxide spectroscopic data bank [21] and in the 'ATMOS' Information System [22].…”

Section: Methods Of Calculationmentioning

confidence: 99%

“…The semiempirical method [11] [13][14][15][16][17][18][19][20]. In [13][14][15][16][17][18][19] it has been shown that for polar active molecules the semiempirical approach gives quite accurate parameters values.…”

Section: Methods Of Calculationmentioning

confidence: 99%

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Calculations of ozone line shifting induced by N₂and O₂pressure

2009

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Ozone line shifts by nitrogen and oxygen pressure are computed for the 1 þ 3 , 2 1 and 2 3 bands of the 5 m spectral region by a semiempirical approach. The calculated values agree with measurements better than 0.001 cm À1 atm À1 for 98% of O 3 -N 2 lines and 87% of O 3 -O 2 lines. In contrast with the water molecule case, the polarization components of the interaction potential are shown to contribute to the line shift more efficiently than the electrostatic interactions. As intermediate results, the mean dipole polarizability and the components of the polarizability tensor for the vibrational states (101), (200), and (002) of ozone molecule are determined by least-squares fitting of theoretical shifts to some experimental values. The temperature exponents for the 1 þ 3 band lines are also estimated.

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Section: Resultsmentioning

confidence: 85%

Section: Methods Of Calculationmentioning

confidence: 99%

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Calculations of ozone line shifting induced by N₂and O₂pressure

2009

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“…[65][66][67][68]. In principle, these accurate wave functions resulting from extensive variational nuclear motion calculations extend the domain of applicability of the semi-empirical method up to the dissociation limit.…”

Section: Semi-empirical Approach To Calculation Of Water Vapour Line mentioning

confidence: 95%

Collisional broadening of water vapour lines

Buldyreva¹,

Lavrentieva²,

Starikov³

2010

Collisional Line Broadening and Shifting of Atmospheric Gases

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Despite the fact that the main constituents of the Earth's atmosphere are nitrogen (∼ 79%) and oxygen (∼ 20%), other minor (∼ 1%) pollutants and natural gases (CO 2 , CO, H 2 O, Ar, and so on) play a very important role. A particular place is occupied by water vapour which is the principle absorber of solar radiation concentrated mainly in the spectral region 0.3-15 µm. It is in this region that its strongest vibrotational bands are situated. Currently, about 50,000 spectral transitions of water vapour molecule are identified with the vibrational quantum numbers v 1 + v 2 + v 3 ≤ 10 and the rotational quantum numbers J ≤ 42, K a ≤ 32. _________________________________________________________________ Let us specify the meaning of these quantum numbers. In the Н 2 О molecule, there are three normal vibrational modes, two of which refer to the variations in the OH bond length (stretching vibrations) and one describes the variations of ∠ НОН angle (bending vibration). The symmetric and anti-symmetric stretching vibrations are characterised by the vibrational quantum numbers v 1 and v 3 , whereas the bending vibration is associated with the vibrational quantum number v 2 . Any vibrational state in the molecule is therefore defined by three quantum numbers: V ≡ (v 1 v 2 v 3 ).Since the H 2 O molecule is an asymmetric top, its rotational energy levels [J K a K c ] are defined by three rotational quantum numbers J, K a , K c . The (pseudo-)quantum numbers K a and K c represent the projections of the angular momentum operator along the molecular axes a (axis of the smallest moment of inertia) and c (axis of the largest moment of inertia). They are not good quantum numbers but become them in the limit cases of prolate or oblate symmetric tops, respectively, reducing to the rotational quantum number K. It is for this reason that they are often referred to as pseudoquantum numbers. The point group of symmetry is C 2v , so that all vibrotational states and wave functions belong to one of four symmetry types: A 1 , A 2 , B 1 or B 2 . These types of symmetry (usually denoted by Γ) are presented in Table 3.1 [1]. The symmetry type Γ also defines the nuclear spin statistical weight w needed for the line-broadening and intensity calculations (Table 3.2). The allowed transitions between the vibrotational states of H 2 O molecule are: A 1 ↔ A 2 , B 1 ↔ B 2 , i.e. only the transitions between different A-states (A-bands) or B-states (B-bands) are Collisional Line Broadening and Shifting of Atmospheric Gases Downloaded from www.worldscientific.com by KAINAN UNIVERSITY on 12/27/14. For personal use only. * Here µa and µb are the dipole moment components in the molecular frame with a, b, c axes corresponding to the moments of inertia Ia < Ib < Ic. The molecule lies in the XOZ plane and its symmetry axis OX is the permanent dipole moment axis (i.e. for the equilibrium configuration µx ≠ 0 and µz = 0). Other notations for the rotational states can be found in Refs [1-3]. ___________________________________________________________The knowl...

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“…The calculations were performed in the context of the semiempiric approach [15] which was successfully applied earlier in calculating the impact parameters of the contour of lines of water vapor, carbon dioxide, and ozone molecules [15][16][17][18][19]. The semiempiric approach is a parametric modification of the impact semiclassical broadening theory [18].…”

Section: Technique and Details Of The Calculationmentioning

confidence: 99%

Collisional broadening of CO2 lines by N2O pressure

et al. 2012

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Carbon dioxide line broadening coefficients by N 2 O pressure, as well as their temperature expo nents, were calculated for a wide range of rotational quantum numbers in the 00 0 1-10 0 0 band. A semiempiric method that is based on the semiclassical broadening theory was used. It showed good results in calculations of half widths and shifts of lines by pressure for H 2 O-N 2 (O 2 ), CO 2 -N 2 (O 2 ), and O 3 -N 2 (O 2 ) systems. The calculated collisional half widths were compared with the measured data obtained with a frequency stabi lized tunable CO 2 laser for 11 vibrational-rotational transitions with rotational quantum numbers of the lower state to 38 at room temperature and for three transitions R(10), R(22), and R(32) in the temperature interval of 300 ≤ T ≤ 700 K in the 00 0 1-10 0 0 band. The calculated and measured data are in a good agreement.

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Shifting temperature dependence of nitrogen-broadened lines in theν₂band of H₂O

Cited by 9 publications

References 26 publications

Calculations of ozone line shifting induced by N₂and O₂pressure

Calculations of ozone line shifting induced by N₂and O₂pressure

Collisional broadening of water vapour lines

Collisional broadening of CO2 lines by N2O pressure

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Shifting temperature dependence of nitrogen-broadened lines in theν2band of H2O

Cited by 9 publications

References 26 publications

Calculations of ozone line shifting induced by N2and O2pressure

Calculations of ozone line shifting induced by N2and O2pressure

Collisional broadening of water vapour lines

Collisional broadening of CO2 lines by N2O pressure

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Shifting temperature dependence of nitrogen-broadened lines in theν₂band of H₂O

Calculations of ozone line shifting induced by N₂and O₂pressure

Calculations of ozone line shifting induced by N₂and O₂pressure