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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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 14.50 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 51.998 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1966 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 8.462570 |
| B | 0.515947 |
| C | -0.126733 |
| D | 0.012599 |
| E | -0.097984 |
| F | 11.62680 |
| G | 61.53970 |
| H | 14.50000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1966 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to BeCl+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.5 ± 0.5 | EI | Hildenbrand and Theard, 1969 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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, Gas phase thermochemistry data, Gas phase ion energetics data, 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
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]
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, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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