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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 July, 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 (69)GaD
A 1Pi     [2.61] 1   [0.000100]  [1.82] A larrow X R 23860.2 2 Z
Kronekvist, Lagerqvist, et al., 1971
a 3Pi1     [3.339]   [0.000113]  [1.6062] a larrow X V 17634.36 Z
Neuhaus, 1957
X 1Sigma+ 0    [3.083] 0.063  [8.4E-5]  1.6631  


1Deuteride bands involving this level have diffuse rotational lines whose width increases with J. Corresponding lines of the hydride are even broader, only diffuse Q and R heads can be recognized. The diffuseness results from tunnelling through a potential maximum which separates the shallow potential well from the dissociation limit 2P3/2 + 2S.
2Calculated from v0(0-1) = 22745.8 using ground state vibrational constants derived from GaH. The 0-0 band was not observed owing to a strong overlapping impurity.
3From the predissociation of A 1Pi(v=0), see 1.
4From the value for GaD.
5DRP - DQ= +12E-6.
6RKR potential functions Ginter and Battino, 1965.
7Rotational constants derived from R and P branches. Slightly different Bv and Dv values from the Q branches; see Ginter and Innes, 1961.
8Dv= -124E-6(v+1/2) + 83.5E-6(v+1/2)2; see 7.
9Dv= +75E-6(v+1/2) + 14.5E-6(v+1/2)2.
10DeltaG(3/2) = 1313.6.
11D1 = 4l3E-6, D2 = 463E-6.
12Each band consists of a single Q branch.
13Dv= +1E-6(v+1/2)2.


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

Kronekvist, Lagerqvist, et al., 1971
Kronekvist, M.; Lagerqvist, A.; Neuhaus, H., The A1«PI»-X1«SIGMA»+ transition in the spectra of GaH and GaD, J. Mol. Spectrosc., 1971, 39, 516. [all data]

Neuhaus, 1957
Neuhaus, H., Band spectrum of gallium hydride and gallium deuteride, Nature (London), 1957, 180, 433. [all data]

Ginter and Battino, 1965
Ginter, M.L.; Battino, R., On the calculation of potential curves by the Rydberg-Klein-Rees method. I. Experimental limitations, extrapolation procedures, and applications to the third-group hydrides, J. Chem. Phys., 1965, 42, 3222. [all data]

Ginter and Innes, 1961
Ginter, M.L.; Innes, K.K., Band spectrum of the GaH molecule, J. Mol. Spectrosc., 1961, 7, 64. [all data]


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