beryllium sulphide
- Formula: BeS
- Molecular weight: 41.077
- IUPAC Standard InChI: InChI=1S/Be.S
- IUPAC Standard InChIKey: FQDSYGKTHDFFCM-UHFFFAOYSA-N
- CAS Registry Number: 13598-22-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Beryllium sulfide
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Gas phase thermochemistry data
Go To: Top, Condensed 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 63.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 50.261 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1977 |
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 1000. | 1000. to 3000. | 3000. to 6000. |
|---|---|---|---|
| A | 4.713719 | -3.581764 | 57.75669 |
| B | 11.22008 | 7.638528 | -18.92567 |
| C | -11.80265 | 1.145249 | 2.786640 |
| D | 4.682888 | -0.592854 | -0.144744 |
| E | 0.019905 | 4.283390 | -71.69001 |
| F | 61.25765 | 72.61472 | -41.03729 |
| G | 53.21415 | 54.21654 | 50.88050 |
| H | 63.00000 | 63.00000 | 63.00000 |
| Reference | Chase, 1998 | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1977 | Data last reviewed in September, 1977 | Data last reviewed in September, 1977 |
Condensed phase thermochemistry 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -55.999 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 8.817 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1977 |
Solid 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 3000. |
|---|---|
| A | 10.69120 |
| B | 5.224800 |
| C | -2.064310 |
| D | 0.322640 |
| E | -0.352080 |
| F | -60.59369 |
| G | 18.30650 |
| H | -56.00010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1977 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Condensed 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| b (3Π) | (b ← a) R | 25961.8 H | ||||||||||
| ↳missing citation | ||||||||||||
| (b ← a) R | 25941.8 H | |||||||||||
| ↳missing citation | ||||||||||||
| (b ← a) R | 25924.5 H | |||||||||||
| ↳missing citation | ||||||||||||
| B lΣ+ | 25941.6 1 | 851.35 Z | 4.85 | 0.72894 | 0.00604 | -0.00003 | 0.00000214 | 1.81368 | B ↔ X R | 25868.61 Z | ||
| ↳Gissane and Barrow, 1963; missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| C (1Δ) | 13545.8 | [660.7] 1 | 5.5 | [0.5963] 1 | 0.0069 | [2.005] 1 | ||||||
| A 1Π | 7960.1 | 762.46 2 Z | 4.12 | 0.6590 2 3 4 | 0.00605 | 0.000025 | 0.000002 | 1.9075 | A → X R | 7842.9 2 Z | ||
| ↳missing citation | ||||||||||||
| a (3Π) | ||||||||||||
| X 1Σ+ | 0 5 | 997.94 Z | 6.137 | 0.79059 | O.OO664 | -0.00002 | 0.000002 | 1.74153 | ||||
Notes
| 1 | Constants for the lowest observed level and interval, vibrational numbering unknown. From perturbations in A 1Π. |
| 2 | Vibrational numbering uncertain. |
| 3 | Constants for the f component; Δνfe ~ +0.00015J(J+1). |
| 4 | The A 1Π state is perturbed by three states, one of them being X 1Σ+, another probably 1Δ. |
| 5 | Theoretical calculations Verhaegen and Richards, 1967 support a 1Σ ground state. |
| 6 | From Gaydon Gaydon, 1968. |
References
Go To: Top, Gas phase thermochemistry data, Condensed 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]
Gissane and Barrow, 1963
Gissane, W.J.M.; Barrow, R.F.,
Rotational analysis of a system B1Σ+ ← X1Σ+ of BeS,
Proc. Phys. Soc. London, 1963, 82, 1065. [all data]
Verhaegen and Richards, 1967
Verhaegen, G.; Richards, W.G.,
The ground state of the BeS molecule,
Proc. Phys. Soc. London, 1967, 90, 579. [all data]
Gaydon, 1968
Gaydon, A.G.,
Dissociation energies and spectra of diatomic molecules, Chapman and Hall, Ltd., 3rd Edition, London, 1968, 1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed 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) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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