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Constants of diatomic molecules

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through November, 1976

Symbols used in the table of constants
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 133CsD
A 1Sigma+ (17833) (123.9) (-3.08) 1 -0.058 2      A larrow X R 3
Bartky, 1966; Csaszar and Koczkas, 1967
X 1Sigma+ 0 [619.1] H   [1.354]   [2.0E-05]  2.505  


1From band heads, 8 leq v' leq 18.
2Only the 10-0 and 11-0 bands have been rotationally analyzed Bartky, 1966; B10 = 0.587, B11 = 0.586.
3Band origins for the 10-0 and 11-0 bands at 19091.2 and 19261.8 cm-1.
4Short extrapolation of vibrational levels in B 1Sigma+ to the limit 2D + 2S Ringstrom, 1970. A longer extrapolation of the ground state levels Tam and Happer, 1976 gives 2.08 eV.
5Constants for the lowest of three levels observed in small perturbations of B 1Sigma+; A~14. Vibrational numbering unknown, Omega = 3 not observed.
6Constants for the lowest of eleven observed levels, v'= 11 ± 3. DeltaG increases to 93.7 for v=18; Bv(v leq 18) = 0.787 - 0.0076(v+1/2). For v > 18 both DeltaG and Bv decrease rapidly.
7omegaexe= -0.297(v+1/2)3 + 0.0040(v+1/2)4 (valid for v leq 15).
8alphav= 0.00131(v+1/2)2; v leq 13.
9omegaeze = -0.0018. Observed up to v" =14 in laser-excited fluorescence Tam and Happer, 1976.


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bartky, 1966
Bartky, I.R., The absorption spectrum of cesium deuteride. The A1«SIGMA» state of CsH, J. Mol. Spectrosc., 1966, 21, 25. [all data]

Csaszar and Koczkas, 1967
Csaszar, M.L.; Koczkas, E., Das Elektronenbandenspektrum des CsD-Molekuls im Sichtbaren Spektralgebiet, Acta Phys. Acad. Sci. Hung., 1967, 23, 211. [all data]

Ringstrom, 1970
Ringstrom, U., A new band system and Klein-Rydberg potential curves of CsH, J. Mol. Spectrosc., 1970, 36, 232. [all data]

Tam and Happer, 1976
Tam, A.C.; Happer, W., Spectroscopy of the CsH (X1«SIGMA»+) state by laser-excited fluorescence, J. Chem. Phys., 1976, 64, 2456. [all data]


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