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Barium 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-322.17kJ/molReviewChase, 1998Data last reviewed in December, 1972
Quantity Value Units Method Reference Comment
gas,1 bar246.23J/mol*KReviewChase, 1998Data last reviewed in December, 1972

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. - 1300.1300. - 6000.
A 35.5790645.26168
B 4.763777-8.151981
C -3.8121772.979351
D 1.159417-0.237670
E -0.173059-2.311494
F -333.5376-340.8299
G 287.0492295.9527
H -322.1684-322.1684
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1972 Data last reviewed in December, 1972

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:
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 BaF+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
4.59 ± 0.06EVALBelyaev, Gotkis, et al., 1990LL
4.7 ± 0.3EILau, Brittain, et al., 1989LL
4.8 ± 0.3EIHildenbrand, 1968RDSH
4.8 ± 0.3EIZmbov and Margrave, 1966RDSH
4.9 ± 0.3EIEhlert, Blue, et al., 1964RDSH

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 February, 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 (138)Ba19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
I  (514)         I rarrow X (33717)
Singh and Mohan, 1971
H (2Sigma) 31582.3 508.8 H 2.00        (H lrarrow X) (V) 31602.2 H
Fowler, 1941; Singh and Mohan, 1971
G (2Sigma) 31451.9 510.4 H 0.83        (G lrarrow X) (V) 31472.9 H
Fowler, 1941; Singh and Mohan, 1971
F (2Sigma) 29411.3 529.9 H 2.00        (F lrarrow X) 1 (V) 29441.8 H
Fowler, 1941; Singh and Mohan, 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
E 2Sigma+ 28139.7 538.4 H 1.90  [0.2290] 2 (0.0011)  [0.000000162]  [2.100] E lrarrow X V 28174.45 Z
Fowler, 1941; Barrow, Bastin, et al., 1967; Singh and Mohan, 1971
D' 2Sigma+ 26227.0 504.9 H 1.54  0.2269 3 (0.00099)  0.000000176 3  2.109 3 D' lrarrow X V 26245 4 Z
missing citation; Fowler, 1941; Barrow, Bastin, et al., 1967; Mohanty, Mohanty, et al., 1970; Singh and Mohan, 1971
D 2Sigma+ 24156.8 508.4 H 1.88  [0.2273] 5 (0.0011)  [0.000000173]  [2.107] D lrarrow X 6 V 24176.54 Z
missing citation; Fowler, 1941; Barrow, Bastin, et al., 1967; Singh and Mohan, 1971
C 2Pi 20197 456.0 H 1.67  [0.2148] 7 (0.0012)    (2.170) C lrarrow X 8 R 20191 H
missing citation; Mohanty, Mohanty, et al., 1970; Kushawaha, Asthana, et al., 1972; Cruse, Dagdigian, et al., 1973; Bradford, Jones, et al., 1975
19998.2 456.0 H 1.67  [0.2138] 7 (0.0012)     C lrarrow X 8 R 19991.8 H
missing citation; Mohanty, Mohanty, et al., 1970; Kushawaha, Asthana, et al., 1972; Cruse, Dagdigian, et al., 1973; Bradford, Jones, et al., 1975
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 2Sigma+ 14062.5 424.4 H 1.88  [0.2071] 9 (0.0012)  [0.00000019]  [2.208] B lrarrow X 1 R 14040.21 Z
Nevin, 1931; missing citation; Barrow, Bastin, et al., 1967; Mohanty, Mohanty, et al., 1970
A 2Pir 12278.2 436.7 HQ 1.82  [0.2119] 10 (0.0012)  [0.000000208]  (2.183) A lrarrow X R 12262.09 Z
Nevin, 1931; Jenkins and Harvey, 1932; Barrow, Bastin, et al., 1967; Mohanty, Mohanty, et al., 1970
11646.9 435.5 HQ 1.68  [0.2118] 10 (0.0011)     A lrarrow X R 11630.2 Z
Nevin, 1931; Jenkins and Harvey, 1932; Barrow, Bastin, et al., 1967; Mohanty, Mohanty, et al., 1970
X 2Sigma+ 0 468.9 HQ 1.79  [0.21585] 11 (0.0012)  [0.000000175]  [2.1627] 12  
Knight, Easley, et al., 1971

Notes

1Double heads.
2Spin-doubling, |gamma' - gamma"| = 0.184.
3Constants for v=1. Spin-doubling,|gamma' - gamma"| = 0.0091.
4Calc. from the origin of the 1-0 band at 26746.86 cm-1
5Spin-doubling, |gamma' - gamma"| = 0.0047.
6The bands have normal structure, but the four branches have unusual intensities, the two strong branches being either R1 and P2 or R2 and P1.
7Estimates based on band head separations Kushawaha, Asthana, et al., 1972, Cruse, Dagdigian, et al., 1973.
8Radiative lifetime tau(v=0) = 23.6 ns Dagdigian, Cruse, et al., 1974.
9Spin-splitting constant gamma = (-)0.263.
10Lambda-type doubling, Deltavfe = -0.258(J+1/2).
11Spin-splitting constant gamma = +0.00278.
12ESR sp. 15
13Thermochemical value (mass-spectrom.) Blue, Green, et al., 1963, Ehlert, Blue, et al., 1964, Hildenbrand, 1968. 6.37 eV by flame photometry Gurvich and Ryabova, 1964.
14Electron impact appearance potential Ehlert, Blue, et al., 1964, Hildenbrand, 1968.
15In Ne and Ar matrices at 4 K Knight, Easley, et al., 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]

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]

Lau, Brittain, et al., 1989
Lau, K.H.; Brittain, R.D.; Hildenbrand, D.L., High temperature thermodynamic studies of some gaseous thorium fluorides, J. Chem. Phys., 1989, 90, 1158. [all data]

Hildenbrand, 1968
Hildenbrand, D.L., Mass-spectrometric studies of bonding in the group IIA fluorides, J. Chem. Phys., 1968, 48, 3657. [all data]

Zmbov and Margrave, 1966
Zmbov, K.F.; Margrave, J.L., Mass-spectrometric studies at high temperatures. XI.The sublimation pressure of NdF, and the stabilities of gaseous NdF2 and NdF, J. Chem. Phys., 1966, 45, 3167. [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]

Singh and Mohan, 1971
Singh, J.; Mohan, H., Thermally excited emission spectrum of barium monofluoride, J. Phys. B:, 1971, 4, 1395. [all data]

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

Barrow, Bastin, et al., 1967
Barrow, R.F.; Bastin, M.W.; Longborough, B., Rotational analysis of some bands of gaseous BaF, Proc. Phys. Soc. London, 1967, 92, 518. [all data]

Mohanty, Mohanty, et al., 1970
Mohanty, H.; Mohanty, J.C.; Mohanty, B.S., Franck-Condon factors, r-centroids & intensity distributions in some band systems of BaF molecule, Indian J. Pure Appl. Phys., 1970, 8, 423. [all data]

Kushawaha, Asthana, et al., 1972
Kushawaha, V.S.; Asthana, B.P.; Shanker, R.; Pathak, C.M., The green band system of BaF, Spectrosc. Lett., 1972, 5, 407. [all data]

Cruse, Dagdigian, et al., 1973
Cruse, H.W.; Dagdigian, P.J.; Zare, R.N., Crossed-beam reactions of barium with hydrogen halides. Measurement of internal state distributions by laser-induced fluorescence, Faraday Discuss. Chem. Soc., 1973, 55, 277. [all data]

Bradford, Jones, et al., 1975
Bradford, R.S., Jr.; Jones, C.R.; Southall, L.A.; Broida, H.P., Production efficiencies of electronically excited states of barium monohalides, J. Chem. Phys., 1975, 62, 2060. [all data]

Nevin, 1931
Nevin, T.E., The spectrum of barium fluoride in the extreme red and near infra-red, Proc. Phys. Soc. London, 1931, 43, 554. [all data]

Jenkins and Harvey, 1932
Jenkins, F.A.; Harvey, A., Emission and absorption spectra of BaF, Phys. Rev., 1932, 39, 922. [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]

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]

Blue, Green, et al., 1963
Blue, G.D.; Green, J.W.; Ehlert, T.C.; Margrave, J.L., Dissociation energies of the alkaline earth monofluorides, Nature (London), 1963, 199, 804. [all data]

Gurvich and Ryabova, 1964
Gurvich, L.V.; Ryabova, V.G., Determination of the dissociation energy of metal halides based on the study of equilibrium reactions in flames I. Dissociation energy of BaF, High Temp. Engl. Transl., 1964, 2, 366, In original 401. [all data]


Notes

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