Beryllium monofluoride
- Formula: BeF
- Molecular weight: 28.010585
- IUPAC Standard InChI: InChI=1S/Be.FH/h;1H/q+1;/p-1
- IUPAC Standard InChIKey: ROPFUFXLORQKEY-UHFFFAOYSA-M
- CAS Registry Number: 13597-96-1
- Chemical structure:
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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 April, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| R shaded double-headed emission bands in the region 62900 - 64100 and 65800 - 66700 cm-1. | ||||||||||||
| ↳Novikov and Gurvich, 1967 | ||||||||||||
| C 2Σ+ | 50364.0 | 1419.7 H | 9.9 | 1.570 | 0.014 | 1.325 | C → A V | 17253.7 | ||||
| ↳Rao and Rao, 1965 | ||||||||||||
| C → X V | 50440.86 Z | |||||||||||
| ↳missing citation | ||||||||||||
| B 2Σ+ | 49563.9 | 1350.8 H | 12.6 | [1.547] | [1.335] | B → X V | 49605.6 Z | |||||
| ↳missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| A 2Πr | 33233.7 1 | [1154.67] Z | 8.78 2 HQ | 1.42024 3 | 0.0175 | [8.40E-06] 4 | 1.3935 | A ↔ X R | 33187.13 5 Z | |||
| ↳missing citation; missing citation; Mulliken, 1931; Fowler, 1941; Tatevskii, Tunitskii, et al., 1958; Walker and Barrow, 1969 | ||||||||||||
| X 2Σ+ | 0 | [1247.36] Z | 9.12 2 HQ | 1.48893 | 0.0176 | 0.00000828 | 1.3610 | |||||
Notes
| 1 | A0=+21.82, A1=+21.93; slight J dependence. A negative value of A has been ruled out by the calculations of Walker and Richards, 1970. |
| 2 | Slightly different constants in Tatevskii, Tunitskii, et al., 1958. |
| 3 | The Λ-type doubling in the 1/2 and 3/2 components Walker and Barrow, 1969 does not follow the "pure precession" pattern for a regular 2Π state. An earlier explanation Walker and Richards, 1967 of this "anomaly" has since been revised Walker and Richards, 1970. |
| 4 | D1 = 8.26E-6. |
| 5 | J'=1/2 (average of F1 and {F2}) relative to N"=0. |
| 6 | Mass-spectrometric values Hildenbrand and Murad, 1966, Farber and Srivastava, 1974. |
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.
Novikov and Gurvich, 1967
Novikov, M.M.; Gurvich, L.V.,
The emission spectrum of BeF in the vacuum ultraviolet,
Opt. Spectrosc. Engl. Transl., 1967, 23, 173, In original 323. [all data]
Rao and Rao, 1965
Rao, K.M.; Rao, P.T.,
A new electronic transition in the BeF molecule,
Indian J. Pure Appl. Phys., 1965, 3, 177. [all data]
Mulliken, 1931
Mulliken, R.S.,
Note on the interpretation of the BeF bands,
Phys. Rev., 1931, 00, 836. [all data]
Fowler, 1941
Fowler, C.A., Jr.,
New absorption spectra of the alkaline earth fluorides,
Phys. Rev., 1941, 59, 645. [all data]
Tatevskii, Tunitskii, et al., 1958
Tatevskii, V.M.; Tunitskii, L.N.; Novikov, M.M.,
Vibration constant and dissociation energy of the BeF molecule,
Opt. Spektrosk., 1958, 5, 520. [all data]
Walker and Barrow, 1969
Walker, T.E.H.; Barrow, R.F.,
The A2Π-X2Σ+ system of BeF,
J. Phys. B:, 1969, 2, 102. [all data]
Walker and Richards, 1970
Walker, T.E.H.; Richards, W.G.,
The assignment of molecular orbital configurations on the basis of λ-type doubling,
J. Phys., 1970, 3, 271. [all data]
Walker and Richards, 1967
Walker, T.E.H.; Richards, W.G.,
The nature of the first excited electronic state in BeF,
Proc. Phys. Soc. London, 1967, 92, 285. [all data]
Hildenbrand and Murad, 1966
Hildenbrand, D.L.; Murad, E.,
Mass-spectrometric determination of the dissociation energy of beryllium monofluoride,
J. Chem. Phys., 1966, 44, 1524. [all data]
Farber and Srivastava, 1974
Farber, M.; Srivastava, R.D.,
Dissociation energies of BeF and BeCl and the heat of formation of BeClF,
J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1581. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
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