Aluminum monofluoride


Gas phase thermochemistry data

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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
Δfgas-63.499kcal/molReviewChase, 1998Data last reviewed in September, 1979
Quantity Value Units Method Reference Comment
gas,1 bar51.401cal/mol*KReviewChase, 1998Data 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 8.487410
B 0.548945
C -0.161092
D 0.019665
E -0.092069
F -66.36860
G 60.99661
H -63.50010
ReferenceChase, 1998
Comment Data last reviewed in September, 1979

Gas phase ion energetics data

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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.73 ± 0.01PEDyke, Kirby, et al., 1984LBLHLM
9.8EVALHuber and Herzberg, 1979LLK
9.86 ± 0.05SBarrow, Kopp, et al., 1974LLK
9.EIUy, Srivastava, et al., 1972LLK
9.2EIHildenbrand and Murad, 1966RDSH
8.9 ± 0.6EIHildenbrand and Theard, 1965RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Al+9.2 ± 0.3F-?EIEhlert and Margrave, 1964RDSH

Constants of diatomic molecules

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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 March, 1976

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 27Al19F
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Unclassified V shaded bands in the region 70900 - 74600 cm-1; in absorption.
missing citation
H 1Σ+ 67320 958 H 7.0  [0.59214]   [0.00000083]  [1.5980] H → B V 13114.57 Z
Barrow, Kopp, et al., 1963; Barrow, Kopp, et al., 1974, 2
           H → A V 23447.32 1 Z
Barrow, Kopp, et al., 1963; Barrow, Kopp, et al., 1974, 2
           H ← X V 67397.03 Z
Rowlinson and Barrow, 1953; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
g 3Σ+ (66910)    [0.59544]   [0.000000951]  [1.5936] g → b V 22177.12 Z
Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974, 2
G 1Σ+ 66334.0 [931.46] Z 8.0 H  0.60490 0.00767 2  [0.000001026]  1.5811 G → B V 12123.34 Z
Barrow, Kopp, et al., 1974, 2
           G → A V 22456.09 1 Z
missing citation; Barrow, Kopp, et al., 1974, 2
           G ← X V 66405.81 Z
Rowlinson and Barrow, 1953; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
f 3Π 65803 [938.90] Z (5.9)  0.59355 3 4 0.00480  [0.000000929]  1.5961 f → c V l0853.84 1 Z
Barrow, Kopp, et al., 1974, 2
           f → b V 21072.71 Z
Barrow, Kopp, et al., 1963; Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974, 2
           f → a V 38576.1
Dodsworth and Barrow, 1954; Dodsworth and Barrow, 1955
           f → a V 38623.6
           f → a V 38670.9
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
F 1Π 65795.6 955.33 Z 5.38  0.59281 5 4 0.00459  [0.000000878]  1.5971 F → B V 11589.46 1 Z
missing citation; Barrow, Kopp, et al., 1974, 2
           F → A V 21922.22 1 Z
missing citation; Barrow, Kopp, et al., 1974, 2
           F ← X V 65871.95 1 Z
Rowlinson and Barrow, 1953; missing citation
e 3Σ+ (65010)    [0.59464] 0  [0.00000084]  [1.5946] e → c V 10064.76 Z
Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974, 2
           e → b V 20283.63 Z
Barrow, Kopp, et al., 1963; Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974, 2
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
E 1Π 63689.4 923.02 Z 5.28  0.58709 6 0.00464  [0.000000946]  1.6049 E → A V 19799.95 1 Z
Barrow, Kopp, et al., 1963; Barrow, Kopp, et al., 1974, 2
           E ← X V 63749.68 1 Z
Rowlinson and Barrow, 1953; Barrow and Rowlinson, 1954
d 3Δ (63203) 7 [930.2] (Z)         d → a V 36017.6 (Z)
Dodsworth and Barrow, 1954; Dodsworth and Barrow, 1955
D 1Δ 61229.5 7 901.05 Z 6.11  0.58297 0.00502  [0.000000987]  1.6105 D → A V 17328.85 1 Z
Rowlinson and Barrow, 1953, 2; missing citation; Barrow, Kopp, et al., 1974, 2
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
C 1Σ+ 57688.0 938.22 5.09 -0.017 0.58992 0.00458 -0.000011 0.000000923  1.6010 C → A V 13806.16 1 Z
Naude and Hugo, 1953; missing citation; Rowlinson and Barrow, 1953, 2; Barrow, Kopp, et al., 1974, 2
           C ↔ X V 57755.89 Z
Rowlinson and Barrow, 1953; Barrow and Rowlinson, 1954; Naude and Hugo, 1955; Naude and Hugo, 1957
c 3Σ+ 54957.7 933.66 Z 4.81  0.58861 8 0.00457  0.00000098  1.6028 c → b V 10218.89 Z
Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974, 2
           c → a V 27722.2
missing citation; Dodsworth and Barrow, 1955; Barrow, Kopp, et al., 1974, 2
           c → a V 27769.8
           c → a V 27817.1
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B 1Σ+ 54251.0 866.60 Z 7.45 -0.045 0.57968 0.00560  [0.000001049]  1.6151 B ↔ X V 54282.46 Z
Rowlinson and Barrow, 1953; missing citation; Naude and Hugo, 1955; Naude and Hugo, 1957; Barrow, Kopp, et al., 1974, 2
b 3Σ+ 44813.2 7 9 786.37 Z 7.64 -0.009 0.56280 8 10 0.00651 -0.00002 0.00000115  1.6391 b → a VR 17503.4
Rowlinson and Barrow, 1953, 2; Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974, 2
           b → a VR 17550.9
           b → a VR 17598.2
A 1Π 43949.2 7 803.94 Z 5.99 11 -0.050 0.55640 0.00534 -0.000043 0.000001056 12  1.6485 A ↔ X VR 43949.73 1 Z
missing citation; Naude and Hugo, 1953; Naude and Hugo, 1953, 2; missing citation; Rowlinson and Barrow, 1953; Barrow, Johns, et al., 1956; Liszt and Smith, 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
a 3Π 27241 7 13 827.8 Z 3.9  0.55703 0.00453  [0.00000982]  1.6476 a → X 27254
Rosenwaks, Steele, et al., 1976
X 1Σ+ 0 7 802.26 Z 4.77  0.5524798 0.0049841 14  1.0464E-06 -1.5E-09 1.654369 15  
Lide, 1963; Hoeft, Lovas, et al., 1970; Wyse and Gordy, 1970

Notes

1Band origins as defined in Barrow, Kopp, et al., 1974, 2; add B"Λ"2 - B'Λ'2 to obtain zero lines.
2Constants from Barrow, Kopp, et al., 1974, 2. Small discrepancy with the B1 value in the same paper.
3Λ-type doubling. Δνfe(v=0)= +0.00338*N(N+1).
4Interactions between levels of F 1Π and f 3Π .
5Λ-type doubling. Δνfe(v=0)= +0.00559J(J+1) - ... decreasing with increasing v.
6Λ-type doubling Δνfe = +0.00025J(J+1).
7Compare with ab initio calculations by So and Richards, 1974.
8Magnetic hyperfine structure; very small spin splitting.
9Relative energies of singlet and triplet states derived from the analysis of spin-forbidden perturbations, see 10.
10Interactions between levels of A 1Π and b 3Σ+ Barrow, Kopp, et al., 1974, 2.
11This state may have a potential maximum of ~ 0.35 eV; see e.g. Barrow, 1960.
12He ~ -2.0E-12.
13A = +47 cm-1.
14αv= +1.718E-5(v+1/2)2 + 4.7E-8(v+1/2)3 Wyse and Gordy, 1970. From Wyse and Gordy, 1970 slightly different constants in Hoeft, Lovas, et al., 1970.
15Microwave sp. 20
16Thermochemical value, see Appendix of ref. Hildenbrand and Murad, 1966, also Murad, Hildenbrand, et al., 1966.
17Interpretation of Rydberg states Barrow, Kopp, et al., 1974, 2. Electron impact appearance potentials vary from 9.5 to 10.1 eV Porter, 1960, Ehlert, Blue, et al., 1964, Murad, Hildenbrand, et al., 1966.
18He ~-1.1E-12.
19Λ-type doubling. Δνfe = +0.00010J(J+1).
20μel =1.53 D Lide, 1963. For eqQ(Al) see Hoeft, Lovas, et al., 1970, Wyse and Gordy, 1970, Honerjager and Tischer, 1974. Additional constants derived from Zeeman effect measurements (gJ, molecular quadrupole moment, etc.) in Honerjager and Tischer, 1974.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, 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]

Dyke, Kirby, et al., 1984
Dyke, J.M.; Kirby, C.; Morris, A.; Gravenor, B.W.J.; Klein, R.; Rosmus, P., A study of aluminium monofluoride and aluminium trifluoride by high-temperature photoelectron spectroscopy, Chem. Phys., 1984, 88, 289. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Barrow, Kopp, et al., 1974
Barrow, R.F.; Kopp, I.; Malmberg, C., The electronic spectrum of gaseous AlF, Phys. Scr., 1974, 10, 86. [all data]

Uy, Srivastava, et al., 1972
Uy, O.M.; Srivastava, R.D.; Farber, M., Mass spectrometric determination of the heats of formation of the gaseous molecules AlOF2 and AlF2, High Temp. Sci., 1972, 4, 227. [all data]

Hildenbrand and Murad, 1966
Hildenbrand, D.L.; Murad, E., Mass-spectrometric determination of the dissociation energy of beryllium monofluoride, J. Chem. Phys., 1966, 44, 1524. [all data]

Hildenbrand and Theard, 1965
Hildenbrand, D.L.; Theard, L.P., Effusion studies, mass spectra, and thermodynamics of beryllium fluoride vapor, J. Chem. Phys., 1965, 42, 3230. [all data]

Ehlert and Margrave, 1964
Ehlert, T.C.; Margrave, J.L., The heat of atomization of aluminum difluoride, J. Am. Chem. Soc., 1964, 86, 3901. [all data]

Barrow, Kopp, et al., 1963
Barrow, R.F.; Kopp, I.; Scullman, R., Singlet electronic states of aluminium monofluoride, Proc. Phys. Soc. London, 1963, 82, 635. [all data]

Barrow, Kopp, et al., 1974, 2
Barrow; Kopp; Malmberg, University of Stockholm, Institute of Physics, Rpt. Reports 74-15, 1974, 0. [all data]

Rowlinson and Barrow, 1953
Rowlinson, H.C.; Barrow, R.F., The absorption spectrum of aluminum monofluoride in the Schumann region, Proc. Phys. Soc. London Sect. A, 1953, 66, 771. [all data]

Kopp and Barrow, 1970
Kopp, I.; Barrow, R.F., Electronic States of Gaseous AlF, J. Phys. B:, 1970, 3, 118-120. [all data]

Dodsworth and Barrow, 1954
Dodsworth, P.G.; Barrow, R.F., Triplet electronic states of aluminium monofluoride, Proc. Phys. Soc. London Sect. A, 1954, 67, 94. [all data]

Dodsworth and Barrow, 1955
Dodsworth, P.G.; Barrow, R.F., The triplet band systems of aluminium monofluoride, Proc. Phys. Soc. London Sect. A, 1955, 68, 824. [all data]

Barrow and Rowlinson, 1954
Barrow, R.F.; Rowlinson, H.C., The absorption spectrum of gaseous aluminium monofluoride in the Schumann region, Proc. R. Soc. London A, 1954, 224, 134. [all data]

Rowlinson and Barrow, 1953, 2
Rowlinson, H.C.; Barrow, R.F., The band-spectrum of aluminum monofluoride, Proc. Phys. Soc. London Sect. A, 1953, 66, 437. [all data]

Naude and Hugo, 1953
Naude, S.M.; Hugo, T.J., The emission spectrum of aluminum monofluoride, Phys. Rev., 1953, 90, 318. [all data]

Naude and Hugo, 1955
Naude, S.M.; Hugo, T.J., The emission spectrum of AlF in the region 1700-2000 Å, Can. J. Phys., 1955, 33, 573. [all data]

Naude and Hugo, 1957
Naude, S.M.; Hugo, T.J., The emission spectrum of AlF in the vacuum ultraviolet, Can. J. Phys., 1957, 35, 64. [all data]

Naude and Hugo, 1953, 2
Naude, S.M.; Hugo, T.J., The emission spectrum of aluminum monofluoride I, Can. J. Phys., 1953, 31, 1106. [all data]

Barrow, Johns, et al., 1956
Barrow, R.F.; Johns, J.W.C.; Smith, F.J., Spectroscopic and thermodynamic properties of gaseous aluminium monofluoride, Trans. Faraday Soc., 1956, 52, 913. [all data]

Liszt and Smith, 1972
Liszt, H.S.; Smith, W.H., RKR Franck-Condon factors for blue and ultraviolet transitions of some molecules of astrophysical interest and some comments on the interstellar abundance of CH, CH+, and SiH, J. Quant. Spectrosc. Radiat. Transfer, 1972, 12, 947. [all data]

Rosenwaks, Steele, et al., 1976
Rosenwaks, S.; Steele, R.E.; Broida, H.P., Observation of a3Π-X1Σ intercombination emission in AlF, Chem. Phys. Lett., 1976, 38, 121. [all data]

Lide, 1963
Lide, D.R., Jr., Communications. Microwave Spectrum of Aluminum Monofluoride, J. Chem. Phys., 1963, 38, 8, 2027. [all data]

Hoeft, Lovas, et al., 1970
Hoeft, J.; Lovas, F.J.; Tiemann, E.; Torring, T., Microwave absorption spectra of AlF, GaF, InF, and TlF, Z. Naturforsch. A, 1970, 25, 1029. [all data]

Wyse and Gordy, 1970
Wyse, F.C.; Gordy, W., Millimeter and submillimeter wave spectrum and molecular constants of aluminium monofluoride, J. Chem. Phys., 1970, 52, 3887. [all data]

So and Richards, 1974
So, S.P.; Richards, W.G., A theoretical study of the excited electronic states of AlF, J. Phys. B:, 1974, 7, 1973. [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]

Murad, Hildenbrand, et al., 1966
Murad, E.; Hildenbrand, D.L.; Main, R.P., Dissociation energies of group IIIA monofluorides-the possibility of potential maxima in their excited H states,, J. Chem. Phys., 1966, 45, 263. [all data]

Porter, 1960
Porter, R.F., Mass Spectra of Vapors in the Al-AlF3 and Al-LiF-AlF3 Systems, J. Chem. Phys., 1960, 33, 951-952. [all data]

Ehlert, Blue, et al., 1964
Ehlert, T.C.; Blue, G.D.; Green, J.W.; Margrave, J.L., Mass spectrometric studies at high temperatures. IV. Dissociation energies of the alkaline earth monofluorides, J. Chem. Phys., 1964, 41, 2250. [all data]

Honerjager and Tischer, 1974
Honerjager, R.; Tischer, R., Zeeman-Effekt im Mikrowellenrotationsspektrum der AlF-Molekel, Z. Naturforsch. A, 1974, 29, 342. [all data]


Notes

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