DMn
- Formula: DMn
- Molecular weight: 56.952147
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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 October, 1975
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te |  e | exe | eye | Be |  e |  e | De |  e | re | Trans. |  00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 | ||||||||||||
| State | Te | e | exe | eye | Be | e | e | De | e | re | Trans. | 00 |
A 7 | (17602) | (1205) 1 | (17) | [3.244] 2 3 | [9.51E-5] 4 | [1.635] | A  X V | 17652 5 | ||||
| ↳Nevin, Conway, et al., 1952; missing citation; Hayes, McCarvill, et al., 1957; Smith, 1973 | ||||||||||||
X 7 | 0 | 1102.5 Z | 13.9 | 2.8957 2 | 0.0513 | -0.0020 | [7.95E-5] 6 | 1.7310 | ||||
Notes
| 1 | From the values for MnH. |
| 2 | Approxiamte ("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. |
| 3 | Perturbations. |
| 4 | H0 = 1.2E-9. |
| 5 | From approximate origins for the F4 component. |
| 6 | D1 = 8.22E-5; D2 = 8.36E-5; H0 = 1.41E-9; H1 = 2.17E-9, H2 = 2.93E-9. |
| 7 | For and ab initio calculation of these two states see Bagus and Schaefer, 1973. |
| 8 | A = 40.6 [see Kovacs and Pacher, 1975]. |
| 9 | D1 = 3.64E-4; H0 = 8.2E-9, H1 = 7.4E-9. |
| 10 | e= -0.0019. |
| 11 | D1 = 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
Go To: Top, Constants of diatomic molecules, Notes
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
Go To: Top, Constants of diatomic molecules, References
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