Beryllium chloride
- Formula: BeCl
- Molecular weight: 44.465
- IUPAC Standard InChI: InChI=1S/Be.ClH/h;1H/q+1;/p-1
- IUPAC Standard InChIKey: LDIHXRVGMZWMIW-UHFFFAOYSA-M
- CAS Registry Number: 13814-50-1
- 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 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| R shaded emission bands in the region 37900 - 38300 cm-1 Novikov and Tunitskii, 1960 are due to AlCl. Unidentified system (νe = 18686, ωe'=540, ωe"=552 cm-1) in emission Parker, 1934; assignment to BeCl not confirmed. | ||||||||||||
| B 2Σ+ | (48773) | [952.5] Z | 1 | 0.7751 2 | 0.0043 | [3.0E-06] 3 | 1.7422 | B → X V | 48827.6 Z | |||
| ↳missing citation; missing citation | ||||||||||||
| A 2Πr | 27992.0 | 822.11 Z | 5.24 | 0.7094 2 | 0.0068 | 0.0000023 | 1.8211 | A ↔ X R | 27979.63 | |||
| ↳missing citation; missing citation; missing citation | ||||||||||||
| X 2Σ+ | 0 | 846.7 Z | 4.85 | 0.7285 | 0.0069 | 0.0000025 | 1.7971 | |||||
Notes
| 1 | A very weak head at 48502.7 cm-1 has tentatively been identified as 2-3 band; ΔG'(3/2)=1212.7 cm-1. |
| 2 | The Λ-type doubling in the 1/2 [Δνef(v=0) ~ -0.011(J+1/2)] and 3/2 components does not conform with the "pure precession" pattern frequently observed in regular 2Π states; see Colin, Carleer, et al., 1972. |
| 3 | D1=1.9E-6. |
| 4 | values for D00 obtained by various methods have been summarized in Farber and Srivastava, 1974, all being close to 4.51 eV and substantially higher than a mass-spectrometric value of 3.99 eV Hildenbrand and Theard, 1969. The interpretation Carleer, Burtin, et al., 1977 of an inverse predissociation assumed to be responsible for the strikingly high intensity of B → X bands with v'=1 suggests an even lower value of 3.45 eV. |
| 5 | Av=+52.8-1.4(v+1/2). |
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 Tunitskii, 1960
Novikov, M.M.; Tunitskii, L.N.,
Vibrational constants and dissociation energy of the BeCl molecule,
Opt. Spectrosc. Engl. Transl., 1960, 8, 396. [all data]
Parker, 1934
Parker, A.E.,
Vibrational analysis of BaCl and BeCl bands,
Phys. Rev., 1934, 45, 752. [all data]
Colin, Carleer, et al., 1972
Colin, R.; Carleer, M.; Prevot, F.,
Rotational analysis of the A2Π-X2Σ+ band system of the BeCl molecule,
Can. J. Phys., 1972, 50, 171. [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]
Hildenbrand and Theard, 1969
Hildenbrand, D.L.; Theard, L.P.,
Mass spectrometric measurement of the dissociation energies of BeCi and BeCl2,
J. Chem. Phys., 1969, 50, 5350. [all data]
Carleer, Burtin, et al., 1977
Carleer, M.; Burtin, B.; Colin, R.,
A new predissociated 2Σ+ state of the BeCl molecule,
Can. J. Phys., 1977, 55, 582-588. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
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