Boron
- Formula: B2
- Molecular weight: 21.622
- IUPAC Standard InChI: InChI=1S/B2/c1-2
- IUPAC Standard InChIKey: ZOCHARZZJNPSEU-UHFFFAOYSA-N
- CAS Registry Number: 14452-61-0
- Chemical structure:
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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 September, 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 | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A 3Σu- | 30573.4 | 937.4 Z | 2.6 | 1.160 | 0.011 | 1.625 | A ↔ X R | 30518.10 Z | ||||
| ↳missing citation; Nicholls, Fraser, et al., 1959; Graham and Weltner, 1976 | ||||||||||||
| X 3Σg- | 0 | 1051.3 Z | 9.35 | 1.212 | 0.014 | 1.590 | ||||||
Notes
| 1 | Thermochemical value (mass-spectrom.); from Verhaegen and Drowart, 1962, but using the higher value from Stull and Prophet, 1971 for the heat of sublimation of boron. |
| 2 | Experimental evidence Graham and Weltner, 1976 supports a 3Σ ground state; theoretical calculations Bender and Davidson, 1967 predict a 5Σu- state at approximately 1100 cm-1 below the lowest state of 3Σg- symmetry. |
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.
Nicholls, Fraser, et al., 1959
Nicholls, R.W.; Fraser, P.A.; Jarmain, W.R.,
Transition probability parameters of molecular spectra arising from combustion processes,
Combust. Flame, 1959, 3, 13. [all data]
Graham and Weltner, 1976
Graham; Weltner,
Private communication cited in Huber and Herzberg, 1979, 1976, 65. [all data]
Verhaegen and Drowart, 1962
Verhaegen, G.; Drowart, J.,
Mass spectrometric determination of the heat of sublimation of boron and of the dissociation energy of B2,
J. Chem. Phys., 1962, 37, 1367. [all data]
Stull and Prophet, 1971
Stull, D.R.; Prophet, H.,
JANAF Thermochemical Tables. Second Edition, Office of SRD (NSRDS-NBS 37), Washington, D.C., 1971, 0. [all data]
Bender and Davidson, 1967
Bender, C.F.; Davidson, E.R.,
Electronic structure of the B2 molecule,
J. Chem. Phys., 1967, 46, 3313. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Company, New York, 1979, 716. [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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