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Aluminum monofluoride


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
Deltafgas-265.68kJ/molReviewChase, 1998Data last reviewed in September, 1979
Quantity Value Units Method Reference Comment
gas,1 bar215.06J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 6000.
A 35.51132
B 2.296787
C -0.674009
D 0.082279
E -0.385217
F -277.6862
G 255.2098
H -265.6844
ReferenceChase, 1998
Comment Data last reviewed in September, 1979

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 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
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Unclassified V shaded bands in the region 70900 - 74600 cm-1; in absorption.
missing citation
H 1Sigma+ 67320 958 H 7.0  [0.59214]   [0.00000083]  [1.5980] H rarrow B V 13114.57 Z
Barrow, Kopp, et al., 1963; Barrow, Kopp, et al., 1974
           H rarrow A V 23447.32 1 Z
Barrow, Kopp, et al., 1963; Barrow, Kopp, et al., 1974
           H larrow X V 67397.03 Z
Rowlinson and Barrow, 1953; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
g 3Sigma+ (66910)    [0.59544]   [0.000000951]  [1.5936] g rarrow b V 22177.12 Z
Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974
G 1Sigma+ 66334.0 [931.46] Z 8.0 H  0.60490 0.00767 2  [0.000001026]  1.5811 G rarrow B V 12123.34 Z
Barrow, Kopp, et al., 1974
           G rarrow A V 22456.09 1 Z
missing citation; Barrow, Kopp, et al., 1974
           G larrow X V 66405.81 Z
Rowlinson and Barrow, 1953; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
f 3Pi 65803 [938.90] Z (5.9)  0.59355 3 4 0.00480  [0.000000929]  1.5961 f rarrow c V l0853.84 1 Z
Barrow, Kopp, et al., 1974
           f rarrow b V 21072.71 Z
Barrow, Kopp, et al., 1963; Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974
           f rarrow a V 38576.1
Dodsworth and Barrow, 1954; Dodsworth and Barrow, 1955
           f rarrow a V 38623.6
           f rarrow a V 38670.9
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
F 1Pi 65795.6 955.33 Z 5.38  0.59281 5 4 0.00459  [0.000000878]  1.5971 F rarrow B V 11589.46 1 Z
missing citation; Barrow, Kopp, et al., 1974
           F rarrow A V 21922.22 1 Z
missing citation; Barrow, Kopp, et al., 1974
           F larrow X V 65871.95 1 Z
Rowlinson and Barrow, 1953; missing citation
e 3Sigma+ (65010)    [0.59464] 0  [0.00000084]  [1.5946] e rarrow c V 10064.76 Z
Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974
           e rarrow b V 20283.63 Z
Barrow, Kopp, et al., 1963; Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
E 1Pi 63689.4 923.02 Z 5.28  0.58709 6 0.00464  [0.000000946]  1.6049 E rarrow A V 19799.95 1 Z
Barrow, Kopp, et al., 1963; Barrow, Kopp, et al., 1974
           E larrow X V 63749.68 1 Z
Rowlinson and Barrow, 1953; Barrow and Rowlinson, 1954
d 3Delta (63203) 7 [930.2] (Z)         d rarrow a V 36017.6 (Z)
Dodsworth and Barrow, 1954; Dodsworth and Barrow, 1955
D 1Delta 61229.5 7 901.05 Z 6.11  0.58297 0.00502  [0.000000987]  1.6105 D rarrow A V 17328.85 1 Z
Rowlinson and Barrow, 1953, 2; missing citation; Barrow, Kopp, et al., 1974
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 1Sigma+ 57688.0 938.22 5.09 -0.017 0.58992 0.00458 -0.000011 0.000000923  1.6010 C rarrow A V 13806.16 1 Z
Naude and Hugo, 1953; missing citation; Rowlinson and Barrow, 1953, 2; Barrow, Kopp, et al., 1974
           C lrarrow X V 57755.89 Z
Rowlinson and Barrow, 1953; Barrow and Rowlinson, 1954; Naude and Hugo, 1955; Naude and Hugo, 1957
c 3Sigma+ 54957.7 933.66 Z 4.81  0.58861 8 0.00457  0.00000098  1.6028 c rarrow b V 10218.89 Z
Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974
           c rarrow a V 27722.2
missing citation; Dodsworth and Barrow, 1955; Barrow, Kopp, et al., 1974
           c rarrow a V 27769.8
           c rarrow a V 27817.1
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 1Sigma+ 54251.0 866.60 Z 7.45 -0.045 0.57968 0.00560  [0.000001049]  1.6151 B lrarrow X V 54282.46 Z
Rowlinson and Barrow, 1953; missing citation; Naude and Hugo, 1955; Naude and Hugo, 1957; Barrow, Kopp, et al., 1974
b 3Sigma+ 44813.2 7 9 786.37 Z 7.64 -0.009 0.56280 8 10 0.00651 -0.00002 0.00000115  1.6391 b rarrow a VR 17503.4
Rowlinson and Barrow, 1953, 2; Kopp and Barrow, 1970; Barrow, Kopp, et al., 1974
           b rarrow a VR 17550.9
           b rarrow a VR 17598.2
A 1Pi 43949.2 7 803.94 Z 5.99 11 -0.050 0.55640 0.00534 -0.000043 0.000001056 12  1.6485 A lrarrow 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
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
a 3Pi 27241 7 13 827.8 Z 3.9  0.55703 0.00453  [0.00000982]  1.6476 a rarrow X 27254
Rosenwaks, Steele, et al., 1976
X 1Sigma+ 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; add B"Lambda"2 - B'Lambda'2 to obtain zero lines.
2Constants from Barrow, Kopp, et al., 1974. Small discrepancy with the B1 value in the same paper.
3Lambda-type doubling. Deltanufe(v=0)= +0.00338*N(N+1).
4Interactions between levels of F 1Pi and f 3Pi .
5Lambda-type doubling. Deltanufe(v=0)= +0.00559J(J+1) - ... decreasing with increasing v.
6Lambda-type doubling Deltanufe = +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 1Pi and b 3Sigma+ Barrow, Kopp, et al., 1974.
11This state may have a potential maximum of ~ 0.35 eV; see e.g. Barrow, 1960.
12He ~ -2.0E-12.
13A = +47 cm-1.
14alphav= +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. 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.
19Lambda-type doubling. Deltanufe = +0.00010J(J+1).
20muel =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, 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]

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
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 a3«PI»-X1«SIGMA» 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]

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]

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

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References