barium sulphide
- Formula: BaS
- Molecular weight: 169.392
- IUPAC Standard InChI:
- InChI=1S/Ba.S
- Download the identifier in a file.
- IUPAC Standard InChIKey: OTMNKCRTGBGNPN-UHFFFAOYSA-N
- CAS Registry Number: 21109-95-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Barium sulfide
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Constants of diatomic molecules
Go To: Top, References, Notes
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 March, 1976
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
B 1 + | 27060.29 | 254.10 Z | 0.438 | 0.08604 | 0.00044 | 2.7475 | B  X R | 26997.74 Z | ||||
| ↳Barrow, Burton, et al., 1971 | ||||||||||||
| A 1+ | 14493 | 294.3 1 | 3.08 | 0.09353 1 | 0.00072 | 2.635 | A X R | 14450 | ||||
| ↳Clements and Barrow, 1968; Barrow, Burton, et al., 1971 | ||||||||||||
a (3 0+) | 14570 2 | (235) 3 | (0.0785) 3 | (2.88) | ||||||||
| X 1+ | 0 | 379.42 Z | 0.8842 | 0.10331 | 0.0003188 | 0.306E-07 | 2.5074 4 | |||||
| ↳Melendres, Hebert, et al., 1969 | ||||||||||||
Notes
| 1 | Extensive perturbations arising from successive vibrational levels of three perturbing states or sub-states of smaller B values. |
| 2 | missing note |
| 3 | From perturbations in A 1+; vibrational numbering unknown. |
| 4 | Mol. beam el. reson. 6 |
| 5 | Thermochemical value (mass-spectrom.) Colin, Goldfinger, et al., 1964, corrected to a 1 ground state. |
| 6 |  el(v) = [10.853 + 0.021(v+1/2)]D. |
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.
Barrow, Burton, et al., 1971
Barrow, R.F.; Burton, W.G.; Jones, P.A.,
Electronic spectrum of gaseous BaS. Rotational analysis of bands of the A-X and B-X systems,
Trans. Faraday Soc., 1971, 67, 902. [all data]
Clements and Barrow, 1968
Clements, R.M.; Barrow, R.F.,
The internuclear distance in gaseous barium sulphide,
Chem. Commun., 1968, 1408. [all data]
Melendres, Hebert, et al., 1969
Melendres, C.A.; Hebert, A.J.; Street, K., Jr.,
Radio-frequency Stark spectra and dipole moment of BaS,
J. Chem. Phys., 1969, 51, 855. [all data]
Colin, Goldfinger, et al., 1964
Colin, R.; Goldfinger, P.; Jeunehomme, M.,
Mass-spectrometric studies of vaporization of the sulphides of calcium, strontium and barium. The dissociation energy of S2 and SO,
Trans. Faraday Soc., 1964, 60, 306. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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