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DMn


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 October, 1975

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 55MnD
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Complex rotational structure in the region 23250 - 23800 cm-1; in emission.
Nevin and Stephens, 1953
Complex R shaded rotational structure with heads at 22355 and 22564 cm-1; in emission and absorption.
Nevin and Stephens, 1953; Smith, 1973
Complex R shaded rotational structure between 20000 and 21270 cm-1; in emission and absorption. Perturbations. Probably quintet system.
Nevin and Stephens, 1953; Smith, 1973
Complex structure in emission from 11330 to 14530 cm-1.
Nevin and Stephens, 1953
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 7Pi (17602) (1205) 1 (17)  [3.244] 2 3   [9.51E-5] 4  [1.635] A lrarrow X V 17652 5
Nevin, Conway, et al., 1952; missing citation; Hayes, McCarvill, et al., 1957; Smith, 1973
X 7Sigma 0 1102.5 Z 13.9  2.8957 2 0.0513 -0.0020 [7.95E-5] 6  1.7310  

Notes

1From the values for MnH.
2Approxiamte ("effective") constants. Improved ("true") constants for MnH (v=0) together with spin-orbit, spin-spin, spin-rotation interaction and l-uncoupling constants in Kovacs and Pacher, 1975. See also Kovacs, 1959, Pacher, 1974.
3Perturbations.
4H0 = 1.2E-9.
5From approximate origins for the F4 component.
6D1 = 8.22E-5; D2 = 8.36E-5; H0 = 1.41E-9; H1 = 2.17E-9, H2 = 2.93E-9.
7For and ab initio calculation of these two states see Bagus and Schaefer, 1973.
8A = 40.6 [see Kovacs and Pacher, 1975].
9D1 = 3.64E-4; H0 = 8.2E-9, H1 = 7.4E-9.
10gammae= -0.0019.
11D1 = 3.053E-4; D2 = 3.08E-4; H0 = 9.33E-9; H1 = 9.79E-9; H2 = 10.2E-9. Hv values in Pacher, 1974 differ by an order of magnitude.

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.

Nevin and Stephens, 1953
Nevin, T.E.; Stephens, D.V., New observations on the band spectra of MnH and MnD, Proc. R. Ir. Acad. Sect. A:, 1953, 55, 109-116. [all data]

Smith, 1973
Smith, R.E., Diatomic hydride and deuteride spectra of the second row transition metals, Proc. R. Soc. London A, 1973, 332, 113. [all data]

Nevin, Conway, et al., 1952
Nevin, T.E.; Conway, M.; Cranley, M., The rotational analysis of the (0,0) and (0,1) bands of the 7«PI»-->7«SIGMA» system of manganese deuteride, Proc. Phys. Soc. London Sect. A, 1952, 65, 115. [all data]

Hayes, McCarvill, et al., 1957
Hayes, W.; McCarvill, P.D.; Nevin, T.E., The structure of the X7«SIGMA» state of MnH and MnD, Proc. Phys. Soc. London Sect. A, 1957, 70, 904. [all data]

Kovacs and Pacher, 1975
Kovacs, I.; Pacher, P., Fine structure of 7«PI» and 7«SIGMA» states in diatomic molecules, J. Phys. B:, 1975, 8, 796. [all data]

Kovacs, 1959
Kovacs, J., On the structure of multiplet «SIGMA» states in diatomic molecules, Proc. R. Ir. Acad. Sect. A:, 1959, 60, 15-26. [all data]

Pacher, 1974
Pacher, P., Fine structure of septet states in diatomic molecules, the X7«SIGMA»+ state of MnH, Acta Phys. Acad. Sci. Hung., 1974, 35, 73. [all data]

Bagus and Schaefer, 1973
Bagus, P.S.; Schaefer, H.F., III, 7«SIGMA»+ and 7«PI» states of manganese hydride, J. Chem. Phys., 1973, 58, 1844. [all data]


Notes

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