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Calcium 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
Deltafgas-271.96kJ/molReviewChase, 1998Data last reviewed in December, 1968
Quantity Value Units Method Reference Comment
gas,1 bar229.65J/mol*KReviewChase, 1998Data last reviewed in December, 1968

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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View table.

Temperature (K) 298. - 1600.1600. - 6000.
A 34.5371647.85073
B 6.332066-7.305724
C -4.4453331.870969
D 1.139973-0.111628
E -0.214336-6.829669
F -283.2212-297.7757
G 268.5346276.4289
H -271.9604-271.9604
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1968 Data last reviewed in December, 1968

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:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CaF+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
5.828 ± 0.002SMurphy, Berg, et al., 1990LL
5.51 ± 0.07EVALBelyaev, Gotkis, et al., 1990LL
6.0 ± 0.5EIHildenbrand and Murad, 1965RDSH
6.2 ± 0.4EIEhlert, 1963RDSH

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 July, 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 40Ca19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
F 2Pi 37547.8 681.7 H 3.55        F lrarrow X V 37595.1 H
Fowler, 1941; Prasad and Narayan, 1969
E 2Sigma+ 34134.6 646.3 H 3.24        E lrarrow X V 34164.4 H
missing citation; Prasad and Narayan, 1969
D 2Sigma+ 30771.9 650.7 H 2.89        D larrow X V 30803.9 H
missing citation
C 2Pi 30284.4 481.7 H 2.02        C lrarrow X R 30232.1 H
Johnson, 1929; missing citation
30255.1 481.7 H 2.02        C lrarrow X R 30202.8 H
Johnson, 1929; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 2Sigma+ 18844.5 566.1 1 2.80  [(0.3361)] 2      B lrarrow X 3 4 R 18834.2 (Z)
Johnson, 1929; missing citation
A 2Pir 16562.3 5 593.4 HQ 3.113 0.0051 0.3436 6 7 0.0028  (0.00000046)  1.952 A lrarrow X 8 VR 16565.6 Z
Johnson, 1929; missing citation; Subbaram and Rao, 1969; Field, Harris, et al., 1975
16489.8 [586.8] Z 3.427 HQ 0.0619 0.3436 6 7 0.0028  (0.00000046)  1.952 A lrarrow X 8 VR 16493.1 Z
Johnson, 1929; missing citation; Subbaram and Rao, 1969; Field, Harris, et al., 1975
X 2Sigma+ 0 [581.1] Z 2.74 H  0.3385 0.0026  0.00000045  1.967 9  

Notes

1Recalculated from the heads of the 0-0 sequence using for the ground state the constants given in the table.
2Using data from Harvey, 1931 and Field, Harris, et al., 1975.
3Radiative lifetime tau(v=0) = 25.1 ns Dagdigian, Cruse, et al., 1974.
4Double heads on account of large spin-doubling in the upper state and high N values of the heads.
5A0 = +73.4.
6Lambda-type doubling,Deltanufe (2Pi1/2) = -0.045(J+1/2).
7The possibility of predissociation above v=l6, as suggested by Hellwege, 1936, is now ruled out by the new value for D00.
8Radiative lifetime tau(v=0) = 20.2 ns Dagdigian, Cruse, et al., 1974.
9ESR sp. 11
10Thermochemical value (mass-spectrom.) Blue, Green, et al., 1963, Hildenbrand and Murad, 1966; 5.85 eV by flame photometry Ryabova and Gurvich, 1964.
11In rare gas matrices at 4K Knight, Easley, et al., 1971.

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]

Murphy, Berg, et al., 1990
Murphy, J.E.; Berg, J.M.; Merer, A.J.; Harris, N.A.; Field, R.W., Rydberg states and ionization potential of calcium monofluoride, Phys. Rev. Lett., 1990, 65, 1861. [all data]

Belyaev, Gotkis, et al., 1990
Belyaev, V.N.; Gotkis, I.S.; Lebedeva, N.L.; Krasnov, K.S., Ionization potentials of MX molecules (M = Ca, Sr, Ba; X = F, Cl, Br, I, OH, O), Russ. J. Phys. Chem., 1990, 64, 773. [all data]

Hildenbrand and Murad, 1965
Hildenbrand, D.L.; Murad, E., Dissociation energy of boron monofluoride from mass-spectrometric studies, J. Chem. Phys., 1965, 43, 1400. [all data]

Ehlert, 1963
Ehlert, T.C., [Title unavailable], Ph.D. Thesis, University of Wisconsin, 1963. [all data]

Fowler, 1941
Fowler, C.A., Jr., New absorption spectra of the alkaline earth fluorides, Phys. Rev., 1941, 59, 645. [all data]

Prasad and Narayan, 1969
Prasad, S.C.; Narayan, M.K., Emission spectra of E-X and F-X systems of CaF, Indian J. Phys., 1969, 43, 205. [all data]

Johnson, 1929
Johnson, R.C., The band spectra of the alkaline earth halides. I. CaF, SrF, Proc. R. Soc. London A, 1929, 122, 161. [all data]

Subbaram and Rao, 1969
Subbaram, K.V.; Rao, D.R., New bands in the A-X systems of CaF, Indian J. Phys., 1969, 43, 312. [all data]

Field, Harris, et al., 1975
Field, R.W.; Harris, D.O.; Tanaka, T., Continuous wave dye laser excitation spectroscopy CaF A2«PI»r-X2«SIGMA»+1, J. Mol. Spectrosc., 1975, 57, 107. [all data]

Harvey, 1931
Harvey, A., Interpretation of the spectra of CaF and SrF, Proc. R. Soc. London A, 1931, 133, 336. [all data]

Dagdigian, Cruse, et al., 1974
Dagdigian, P.J.; Cruse, H.W.; Zare, R.N., Radiative lifetimes of the alkaline earth monohalides, J. Chem. Phys., 1974, 60, 2330. [all data]

Hellwege, 1936
Hellwege, K.-H., Zur kenntnis der bandenspektren von CaF und CaCl, Z. Phys., 1936, 100, 644. [all data]

Blue, Green, et al., 1963
Blue, G.D.; Green, J.W.; Bautista, R.G.; Margrave, J.L., The sublimation pressure of calcium(II) fluoride and the dissociation energy of calcium(I) fluoride, J. Phys. Chem., 1963, 67, 877. [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]

Ryabova and Gurvich, 1964
Ryabova, V.G.; Gurvich, L.V., Determination of dissociation energies of metal halides from equilibria in flames. 2. Dissociation energies of CaF, CaF2, SrF, and SrF2, High Temp. Engl. Transl., 1964, 2, 749, In original 834. [all data]

Knight, Easley, et al., 1971
Knight, L.B., Jr.; Easley, W.C.; Weltner, W., Jr., Hyperfine interaction and chemical bonding in MgF, CaF, SrF, and BaF molecules, J. Chem. Phys., 1971, 54, 322. [all data]


Notes

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