Aluminum monochloride
- Formula: AlCl
- Molecular weight: 62.435
- IUPAC Standard InChI: InChI=1S/Al.ClH/h;1H/q+1;/p-1
- IUPAC Standard InChIKey: IZMHKHHRLNWLMK-UHFFFAOYSA-M
- CAS Registry Number: 13595-81-8
- 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 | -12.30 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 54.481 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 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 6000. |
|---|---|
| A | 8.798301 |
| B | 0.318413 |
| C | -0.105915 |
| D | 0.018027 |
| E | -0.054193 |
| F | -15.11820 |
| G | 64.73291 |
| H | -12.30000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to AlCl+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.4 | PE | Hildenbrand, 1977 | LLK |
| 9.5 ± 0.3 | EI | Hildenbrand, 1970 | RDSH |
| 9.4 ± 0.4 | EI | Hildenbrand and Theard, 1969 | 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 November, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Fragments of additional systems in the region 48200 - 54900 cm-1. | ||||||||||||
| ↳Reddy and Rao, 1957 | ||||||||||||
| b (3Σ) | (43591) | (350) 1 | [0.226] 2 | [2.21] | b → a R | 18847.40 HQ | ||||||
| ↳missing citation | ||||||||||||
| R | 18911 (Z) | |||||||||||
| ↳missing citation | ||||||||||||
| R | 19895.00 HQ | |||||||||||
| ↳missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| A 1Π | 38254.0 | 449.96 HQ | 4.37 3 | -0.216 | 0.259 4 | 0.006 | 2.067 | A ↔ X RV | 38237.7 HQ | |||
| ↳missing citation; Mahanti, 1934; missing citation; Miescher, 1935 | ||||||||||||
| a 3Πr | 24658 | 524.35 HQ | 2.175 | 0.250 5 | 0.002 | 2.10 | a → X V | 24680 (Z) | ||||
| ↳missing citation | ||||||||||||
| 24593.84 | 524.35 HQ | 2.175 | 0.250 5 | 0.002 | 2.10 | a → X V | 24615.31 HQ | |||||
| ↳missing citation | ||||||||||||
| 24528 | 524.35 HQ | 2.175 | 0.250 5 | 0.002 | 2.10 | a → X V | 24541.65 HP | |||||
| ↳missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 1Σ+ | 0 | 481.3 HQ | 1.95 | 0.24393012 | 0.00161113 6 | 2.5027E-07 7 | -0.0053E-7 | 2.130113 8 9 | ||||
| ↳Lide, 1965; Wyse and Gordy, 1972 | ||||||||||||
Notes
| 1 | Estimated from observed isotope shifts. |
| 2 | v > 0 probably predissociated. |
| 3 | This state may have a potential hump of ~ 0.26 eV. Barrow, 1954, Barrow, 1960 |
| 4 | Predissociation in v=10 missing citation. |
| 5 | Estimated from P and Q head separations. |
| 6 | αv= +4.697E-6(v+1/2)2 - 5.7E-9(v+1/2)3. |
| 7 | He= -4.456E-14. |
| 8 | From the corrected Be = 0.24394229. |
| 9 | Microwave sp. 11 |
| 10 | Thermochemical value [see Appendix of Hildenbrand and Theard, 1969] See also Barrow, 1960. |
| 11 | μel = 1 to 2 D Lide, 1965. Values of eqQ in Lide, 1965, Hoeft, Torring, et al., 1973. |
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, 1977
Hildenbrand, D.L.,
Dissociation energies of CaBr, SrBr, BaBr, and BaCl from mass spectrometric studies of gaseous equilibria,
J. Chem. Phys., 1977, 66, 3526. [all data]
Hildenbrand, 1970
Hildenbrand, D.L.,
Dissociation energies and chemical bonding in the alkaline-earth chlorides from mass spectrometric studies,
J. Chem. Phys., 1970, 52, 5751. [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]
Reddy and Rao, 1957
Reddy, S.P.; Rao, P.T.,
The emission spectrum of aluminum monochloride in the vacuum ultraviolet,
Can. J. Phys., 1957, 35, 912. [all data]
Mahanti, 1934
Mahanti, P.C.,
Das bandenspektrum des aluminiumchlorids,
Z. Phys., 1934, 88, 550. [all data]
Miescher, 1935
Miescher, E.,
Bandenspektren von bor- und aluminium-halogeniden,
Helv. Phys. Acta, 1935, 8, 279. [all data]
Lide, 1965
Lide, D.R., Jr.,
High-temperature microwave spectroscopy: AlF and AlCl,
J. Chem. Phys., 1965, 42, 1013. [all data]
Wyse and Gordy, 1972
Wyse, F.C.; Gordy, W.,
Millimeter wave rotational spectra of AlCl, AlBr, and AlI,
J. Chem. Phys., 1972, 56, 2130. [all data]
Barrow, 1954
Barrow, R.F.,
Maxima in the potential energy-distance functions of diatomic molecules,
J. Chem. Phys., 1954, 22, 573. [all data]
Barrow, 1960
Barrow, R.F.,
Dissociation energies of the gaseous monohalides of boron, aluminium, gallium, indium, and thallium,
Trans. Faraday Soc., 1960, 56, 952. [all data]
Hoeft, Torring, et al., 1973
Hoeft, J.; Torring, T.; Tiemann, E.,
Hyperfeinstruktur von AlCl und AlBr,
Z. Naturforsch. A, 1973, 28, 1066. [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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