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DSn


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 August, 1977

Symbols used in the table of constants
SymbolMeaning
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 (120)SnD
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 2Delta (23790) 1 [(736)]   [2.5161] 2 (0.2)  [110.4E-6] 3  [1.8391] A larrow X R 23563.65 Z
Klynning, Lindgren, et al., 1965
a 4Sigma- (15580) [992.5] Z   [2.740] 4 0.13  [80E-6] 5  [1.762] a larrow X R 15482.5 Z
Klynning, Lindgren, et al., 1965
X 2Pir 0 6 [1188.0] Z   [2.6950] 7 0.490  [53.4E-6]  [1.7770]  

Notes

1Spin coupling constants for v=0: A(v=0)=8.52, AJ(v=0)= 0.0225, gamma(v=0) = 0.555. The large difference from SnH remains unexplained; see Veseth, 1971, Veseth, 1973.
2Rotational constants of Klynning, Lindgren, et al., 1965 based on a modified Hill-Van Vleck expression; see also Kovacs and Vujisic, 1971. A case "c" treatment of the same data is given by Veseth, 1973.
3H0 = -0.135E-7; see 2.
4Spin splitting constants for v=0: lambda(v=0) = 45.0, gamma1(v=0) = 0.076, gamma2(v=0) = 0.0883. DeltaB= -0.012 see 12.
5H0 = -0.13E-8.
6A0 = 2177.05 + 0.0080J(J+1).
7Delta vfe(2Pi1/2,v=0) = +0.5076(J+1/2) - 0.000045(J+1/2)3.
8From the predissociation in A 2Delta assuming dissociation into 3P2 + 2S.
9Spin coupling constants for v=0: A(v=0) = 20.41 Klynning, Lindgren, et al., 1965, AJ(v=0) = 0.0625 Klynning, Lindgren, et al., 1965, gamma(v=0) = 1.23 Klynning, Lindgren, et al., 1965. For a more elaborate evaluation of these constants (including centrifugal distortion) see Kovacs and Vujisic, 1971.
10Broadening of absorption lines above N' ~ 14 Klynning, Lindgren, et al., 1965, sharp cut-off in emission at N'=17 Watson and Simon, 1939.
11H0 = -2.3E-7; see 2.
12Spin splitting constants for v=0: lambda(v=0) = 45.78 Klynning, Lindgren, et al., 1965, gamma1(v=0) = 0.190 Klynning, Lindgren, et al., 1965, gamma2(v=0) = 0.191 Klynning, Lindgren, et al., 1965. DeltaB is the difference in B values between the states Omega = 1/2 and 3/2: DeltaB = -0.0266 Klynning, Lindgren, et al., 1965. All constants derived by Klynning, Lindgren, et al., 1965 according to the modified expressions [see Klynning, Lindgren, et al., 1965 for the energy levels of a 4Sigma state Hougen, 1962. For further refinements see Kovacs and Korwar, 1971, Kovacs and Pacher, 1971. The case "c" treatment of the same data by Veseth, 1973 gives B0 = 5.404, (Omega=1/2) Veseth, 1973 and B0 = 5.339, (Omega= 3/2) Veseth, 1973, respectively. For a discussion of 4Sigma1/2- in terms of case "a'" coupling conditions see Kopp and Hougen, 1967.
13H0 = -3.3E-8.
14Rotational intensity distribution Klynning, 1966, Kopp and Hougen, 1967.
15A0 = +2178.88 + 0.01719J(J+1) Klynning, Lindgren, et al., 1965; see, however, Kovacs and Vujisic, 1971.
16Lambda-type doubling Delta vfe(2Pi1/2, v=0) = +1.003(J+1/2) - 1.76E-4(J+1/2)3 Klynning, Lindgren, et al., 1965.

References

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

Klynning, Lindgren, et al., 1965
Klynning, L.; Lindgren, B.; Aslund, N., On the spectra of SnH and SnD, Ark. Fys., 1965, 30, 141. [all data]

Veseth, 1971
Veseth, L., Second-order spin-orbit splitting in 2«DELTA» states of diatomic molecules, Physica (Amsterdam), 1971, 56, 286. [all data]

Veseth, 1973
Veseth, L., Some anomalies in the electronic spectra of GeH, GeD, SnH, and SnD related to Hund's coupling case (c), J. Mol. Spectrosc., 1973, 48, 283. [all data]

Kovacs and Vujisic, 1971
Kovacs, I.; Vujisic, B., Centrifugal distortion of the spin-orbit and spin-rotation interaction for doublet terms, J. Phys. B:, 1971, 4, 1123. [all data]

Watson and Simon, 1939
Watson, W.W.; Simon, R., The spectrum of tin hydride at high pressure, Phys. Rev., 1939, 55, 358. [all data]

Hougen, 1962
Hougen, J.T., The rotational energy levels of diatomic molecules in 4«SIGMA» electronic states, Can. J. Phys., 1962, 40, 598. [all data]

Kovacs and Korwar, 1971
Kovacs, I.; Korwar, V.M., General theory of the rotational structure of 4«SIGMA» states of diatomic molecules I, J. Phys. B:, 1971, 4, 759. [all data]

Kovacs and Pacher, 1971
Kovacs, I.; Pacher, P., General theory of the rotational structure of 4«SIGMA» states of diatomic molecules: II, J. Phys. B:, 1971, 4, 1633. [all data]

Kopp and Hougen, 1967
Kopp, I.; Hougen, J.T., Rotational energy levels of 1/2 states and intensities in 1/2-1/2 transitions: applications to some heavier hydrides, Can. J. Phys., 1967, 45, 2581. [all data]

Klynning, 1966
Klynning, L., On the intensity distribution in the 4«SIGMA»-2«PI» band of SnH, Ark. Fys., 1966, 31, 281. [all data]


Notes

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