Aluminum sulfide
- Formula: AlS
- Molecular weight: 59.047
- IUPAC Standard InChI: InChI=1S/Al.S
- IUPAC Standard InChIKey: SLWLWUJHXQUDJS-UHFFFAOYSA-N
- CAS Registry Number: 12251-90-0
- 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 | 57.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 55.108 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1979 |
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 2000. | 2000. to 6000. |
|---|---|---|
| A | 10.09560 | 20.56000 |
| B | -4.492532 | -4.310880 |
| C | 5.111791 | 0.624630 |
| D | -1.296850 | -0.029754 |
| E | -0.106712 | -12.15090 |
| F | 53.78731 | 33.36900 |
| G | 67.84921 | 64.32130 |
| H | 57.00010 | 57.00010 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1979 | Data last reviewed in December, 1979 |
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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.600 ± 0.030 | LPES | Nakajima, Taguwa, et al., 1995 | Vertical Detachment Energy: 2.75±0.04 eV; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.5 ± 0.5 | EI | Ficalora, Hastie, et al., 1968 | RDSH |
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 December, 1975
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| C 2Σ+ | (35797) | [430.0] H | (14) | 0.2402 1 | 0.0036 | 0.00000031 | 2.190 | C ← X R | 35714.9 | |||
| ↳Maltsev, Shevelkov, et al., 1966 | ||||||||||||
| B (2Π) | (30104) | [530] 2 | B ← X R | 30061 H | ||||||||
| ↳Maltsev, Shevelkov, et al., 1966; Kronekvist and Lagerqvist, 1969 | ||||||||||||
| (29986) | [530] 2 | B ← X R | 29943 H | |||||||||
| ↳Maltsev, Shevelkov, et al., 1966; Kronekvist and Lagerqvist, 1969 | ||||||||||||
| A 2Σ+ | 23433.80 | 510.91 Z | 1.45 | 0.2461 3 4 | 0.0012 | 0.00000021 | 2.164 | A ↔ X R | 23381.16 Z | |||
| ↳missing citation; Maltsev, Shevelkov, et al., 1966; Kronekvist and Lagerqvist, 1969; missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 2Σ+ | 0 | 617.12 Z | 3.33 | 0.2799 5 | 0.0018 | 0.00000022 | 2.029 | |||||
Notes
| 1 | Predissociation for v ≥ 2. |
| 2 | Strong perturbations. |
| 3 | Spin splitting constant γ0 ~ -0.0055 Lavendy, Mahieu, et al., 1973. |
| 4 | Small perturbations Kronekvist and Lagerqvist, 1969, Lavendy, Mahieu, et al., 1973. |
| 5 | Spin splitting constant γ0 ~ +0.0045 Lavendy, Mahieu, et al., 1973. |
| 6 | Thermochemical value (mass-spectrom.) Ficalora, Hastie, et al., 1968, Uy and Drowart, 1971. |
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]
Nakajima, Taguwa, et al., 1995
Nakajima, A.; Taguwa, T.; Nakao, K.; Hoshino, K.; Iwata, S.; Kaya, K.,
Photoelectron Spectroscopy of AlnS1- Clusters (n=1-9),
J. Chem. Phys., 1995, 102, 2, 660, https://doi.org/10.1063/1.469178
. [all data]
Ficalora, Hastie, et al., 1968
Ficalora, P.J.; Hastie, J.W.; Margrave, J.L.,
Mass spectrometric studies at high temperatures. XXVII. The reactions of aluminum vapor with S2(g), Se2(g), and Te2(g),
J. Phys. Chem., 1968, 72, 1660. [all data]
Maltsev, Shevelkov, et al., 1966
Maltsev, A.A.; Shevelkov, V.F.; Krupnikov, E.D.,
New band systems of the AlS molecule,
Opt. Spectrosc. Engl. Transl., 1966, 2, 4, In original 7. [all data]
Kronekvist and Lagerqvist, 1969
Kronekvist, M.; Lagerqvist, A.,
The spectrum of AlS,
Ark. Fys., 1969, 39, 133. [all data]
Lavendy, Mahieu, et al., 1973
Lavendy, H.; Mahieu, J.M.; Becart, M.,
Etude de la transition A2Σ+-X2Σ+ du radical Al-S,
Can. J. Spectrosc., 1973, 18, 13. [all data]
Uy and Drowart, 1971
Uy, O.M.; Drowart, J.,
Determination by the mass spectrometric Knudsen cell method of the atomization energies of the gaseous aluminium chalcogenides, Al2, AlCu, AlCuS, and AlCuS2,
Trans. Faraday Soc., 1971, 67, 1293. [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:
EA Electron affinity 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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