Beryllium
- Formula: Be2
- Molecular weight: 18.024364
- IUPAC Standard InChI: InChI=1S/2Be
- IUPAC Standard InChIKey: SQOQGLGTQLQRCC-UHFFFAOYSA-N
- CAS Registry Number: 14452-60-9
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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 | 152.28 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1983 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 49.328 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1983 |
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. - 6000. |
|---|---|
| A | 4.840161 |
| B | 0.099084 |
| C | -0.025421 |
| D | 0.002096 |
| E | 0.150845 |
| F | 151.3430 |
| G | 56.00641 |
| H | 152.2850 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1983 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry 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 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A (1Σu+) | 502 1 | 6.8 | A ← X | 28551 1 | ||||||||
| ↳Brom, Hewett, et al., 1975 | ||||||||||||
| 483 2 | 4.5 | A ← X | 27670 2 | |||||||||
| ↳Brom, Hewett, et al., 1975 | ||||||||||||
| X 1Σg+ | Theoretical calculations give no evidence for a bound ground state Bender and Davidson, 1967. | |||||||||||
Notes
| 1 | In Ne matrix at 4 K. |
| 2 | In Ar matrix at 4 K. |
References
Go To: Top, Gas phase thermochemistry 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]
Brom, Hewett, et al., 1975
Brom, J.M., Jr.; Hewett, W.D., Jr.; Weltner, W., Jr.,
Optical spectra of Be atoms and Be2 molecules in rare gas matrices,
J. Chem. Phys., 1975, 62, 3122. [all data]
Bender and Davidson, 1967
Bender, C.F.; Davidson, E.R.,
Theoretical calculation of the potential curves of the Be2 molecule,
J. Chem. Phys., 1967, 47, 4972. [all data]
Notes
Go To: Top, Gas phase thermochemistry 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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