Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

boron fluoride


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-27.701kcal/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar47.916cal/mol*KReviewChase, 1998Data last reviewed in December, 1964

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 700.700. - 6000.
A 5.2341718.570459
B 5.4699910.312578
C -1.780841-0.053957
D -0.6368490.004053
E 0.034022-0.363387
F -29.37261-31.24950
G 52.8952956.79149
H -27.70010-27.70010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1964 Data last reviewed in December, 1964

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 April, 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 11B19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
RydbergRydberg series (abs.) beginning with D, J, P, ... : nu(1-0) = 91330 - R/(n-0.52)2 nleq18.
missing citation
Rydberg series (abs.) beginning with D, J, P, ... : nu(0-0) = 89650 - R/(n-0.52)2 nleq15.
missing citation
Rydberg series (abs.) beginning with C, I, O, ... : nu(1-0) = 91330 - R/(n-0.66)2 nleq9.
Caton and Douglas, 1970
Rydberg series (abs.) beginning with C, I, O, ... : nu(0-0) = 89650 - R/(n-0.66)2 nleq9.
Caton and Douglas, 1970
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
R 1Sigma+ (6ssigma) [85848] 1          R larrow X V 85150 H
Caton and Douglas, 1970
P 1Pi (5ppi) 84077 [1673] HQ   [1.6511] 2   [6.4E-6] 2  [1.2103] P larrow X V 84215 HQ
Caton and Douglas, 1970
O 1Sigma+ (5psigma) 83680.2 1676 H 9.5  [1.6275]   [5.6E-6]  [1.2190] O larrow X V 83817.71 Z
Caton and Douglas, 1970
L 1Sigma+ (5ssigma) [83348.32]    [1.5578]   [-21.3E-6]  [1.2460] L larrow X V 82650.21 Z
Caton and Douglas, 1970
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
J 1Pi (4ppi) 80544 [1673.09] Z   1.6516 3 0.0162  [6.5E-6]  1.2101 J larrow X V 80681.98 Z
Caton and Douglas, 1970
h 3Pi 80230 [1679.2] HQ   [1.6475] 4   [6.2E-6]  [1.2116] h rarrow b V 19225.28 Z
Caton and Douglas, 1970
I 1Sigma+ (4psigma) 79631.39 1666.28 Z 12.57  1.6382 0.0174  [6.4E-6]  1.2150 I larrow X V 79763.28 Z
Caton and Douglas, 1970
H 1Sigma+ (3dsigma) [79389.32]    [1.6511]   [13.0E-6]  [1.2103] H larrow X V 78691.21 Z
Caton and Douglas, 1970
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
g 3Sigma+ [78771.9]    [1.6765]   5.1E-6  [1.2011] g rarrow b 5 V 16927.59 Z
Caton and Douglas, 1970
F 1Pi (3dpi) (77406) (1670) 6   [1.6723] 7 8   [8.9E-6]  [1.2026] F rarrow A V 26454.13
missing citation
           F larrow X V 77542.79 Z
Caton and Douglas, 1970
f 3Pi 77405 [1678.1] Z   [1.6417] 9   [5.0E-6]  [1.2138] f rarrow c V 10428.15 Z
missing citation
           f rarrow b V 16400.10 Z
Caton and Douglas, 1970
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
G 1Sigma+ (4ssigma) 76952 [1685.63] Z   1.6054 0.0147  [1.2E-6] 10  1.2074 G rarrow B V 11596.99
missing citation
           G lrarrow X V 77096.41 Z
Mal'tsev, 1960; missing citation
E 1Delta (3ddelta) (76292) (1581) 6   [1.6209] 11   [6.4E-6]  [1.2215] E rarrow A 5 25295.69 Z
missing citation; missing citation
e 3Sigma+ 75916 [1654.29] Z   1.6447 0.0151  [6.3E-6]  1.2126 e rarrow b 5 14899.56 Z
missing citation; Czarny and Felenbok, 1968; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D 1Pi (3ppi) 72144.42 [1661.96] Z 11.7 HQ  1.6282 12 0.0170  [6.3E-6]  1.2188 D lrarrow X V 72286.06 Z
Chretien and Miescher, 1949; Chretien, 1950; Mal'tsev, 1960; missing citation
d 3Pi 70710.4 1696.71 Z 11.01  1.6517 13 14 0.0176 15  [6.5E-6]  1.2101 d rarrow b 9711.65 Z
missing citation
C 1Sigma+ (3psigma) 69030.38 1613.10 Z 14.50  1.6238 0.0194  [7.3E-6]  1.2204 C rarrow A V 18046.53 Z
missing citation
           C lrarrow X V 69135.19 Z
Chretien and Miescher, 1949; missing citation; Mal'tsev, 1960; Caton and Douglas, 1970
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
c 3Sigma+ 67045 [1541.3] Z   [1.6030] 16   [5.5E-6] 16  [1.2283] c rarrow a V 38011.97 Z
Strong and Knauss, 1936; Barrow, Premaswarup, et al., 1958; Krishnamachari and Singh, 1965
B 1Sigma+ (3ssigma) 65353.93 1693.51 Z 12.61  1.6590 0.0178  [7.6E-6]  1.2074 B rarrow A V 14410.76
missing citation
           B lrarrow X V 65499.42 Z
Chretien and Miescher, 1949; missing citation; Mal'tsev, 1960; Caton and Douglas, 1970
b 3Sigma+ 61035.3 1629.28 Z 22.255  1.6385 0.0200 17  [7.0E-6]  1.2149 b rarrow a 18 V 32040.42 Z
Dull, 1935; Strong and Knauss, 1936; missing citation; Dodsworth and Barrow, 1955; Barrow, Premaswarup, et al., 1958; Krishnamachari and Singh, 1965
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 1Pi 51157.45 1264.96 Z 12.53 19  1.4227 20 0.0180 21  [7.3E-6]  1.3038 A lrarrow X 22 23 R 51088.66 Z
Chretien and Miescher, 1949; missing citation; Onaka, 1957; missing citation; Caton and Douglas, 1970
a 3Pir 29144.3 24 1323.86 Z 9.20 25  1.4135 26 0.0158  [6.3E-6]  1.3081 a rarrow X R 29105.8 Z
Lebreton, Ferran, et al., 1975
X 1Sigma+ 0 1402.13 Z 11.84 27  [1.507235] 0.0198  [7.6E-6]  1.26259 28  
Lovas and Johnson, 1971

Notes

1Approximate description of the Rydberg electron Caton and Douglas, 1970; see also Lefebvre-Brion and Moser, 1965.
2Computed from the data for 10B9F: B0 = 1.7551, D0 = 7.2E-6, Deltanuef = +0.0146J(J+1).
3Deltanuef = +0.0056J(J+1) - ...
4Deltanuef = +0.0024N(N+l).
5Headless band.
6Estimated from observed isotope shifts.
7Deltanuef = +0.0423J(J+1) - ...
8Lines with J' leq ~6 are weak or absent, both in emission and in absorption.
9Deltanuef = -0.0289N(N+1)+ ...
10D1 = 22.8E-6
11Deltanuef ~ -4E-7J2(J+1)2.
12Deltanuef = +0.0009J(J+1).
13Deltanuef = +0.0011N(N+1).
14The emission from v=4 consists of Q branch lines only.
15missing note
16From Caton and Douglas, 1970. Barrow et.al. Barrow, Premaswarup, et al., 1958 give B0 = 1.6052 Barrow, Premaswarup, et al., 1958, D0 = 8.2E-6 Barrow, Premaswarup, et al., 1958.
17missing note
18Franck-Condon factors Pathak and Maheshwari, 1967.
19This state may have a potential hump of ~0.22 eV.
20Deltanuef ~ -0.0002J(J+1).
21missing note
22Radiative lifetime tau(v=0,1,2) = 2.8 ns; f00 = 0.40 Hesser and Dressler, 1966, Hesser, 1968.
23Franck Condon factors Wentink and Spindler, 1970.
24A = 24.25.
25missing note
26Lambda-type doubling; see Barrow, Premaswarup, et al., 1958.
27missing note
28Microwave sp. 31
29Thermochemical value (mass-spectrom.) Hildenbrand and Murad, 1965, Murad, Hildenbrand, et al., 1966. Extrapolation of A 1Pi gives 8.02 eV Barrow, 1960.
30Extrapolation of Rydberg series; 11.06 eV by electron impact Hildenbrand, 1971.
31muel(v=0) = 0.5 D. Values of eqQ(10,11B) in Lovas and Johnson, 1971. For computed ground state properties see Nesbet, 1964, Huo, 1965, Hegstrom and Lipscomb, 1966.

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]

Caton and Douglas, 1970
Caton, R.B.; Douglas, A.E., Electronic spectrum of the BF molecule, Can. J. Phys., 1970, 48, 432. [all data]

Mal'tsev, 1960
Mal'tsev, A.A., Isotope effect in the singlet spectral bands of the BF molecule, Opt. Spectrosc. Engl. Transl., 1960, 9, 225. [all data]

Czarny and Felenbok, 1968
Czarny, J.; Felenbok, P., Rotational analysis of the band at 14 900 cm-1 of a 3«SIGMA» - 3«SIGMA» system of the BF molecule, Chem. Phys. Lett., 1968, 2, 533. [all data]

Chretien and Miescher, 1949
Chretien, M.; Miescher, E., New electronic band-systems of diatomic boron compounds (BF, BO and BH), Nature (London), 1949, 163, 996. [all data]

Chretien, 1950
Chretien, M., Das Bandenspektrum des Bormonofluorids (BF) im Schumanngebiet, Helv. Phys. Acta, 1950, 23, 259. [all data]

Strong and Knauss, 1936
Strong, H.M.; Knauss, H.P., The band spectrum of boron fluoride, Phys. Rev., 1936, 49, 740. [all data]

Barrow, Premaswarup, et al., 1958
Barrow, R.F.; Premaswarup, D.; Winternitz, J.; Zeeman, P.B., Rotational analysis of bands of the c3«SIGMA», b3«SIGMA»-a3«PI» system of boron monofluoride, BF, Proc. Phys. Soc. London, 1958, 71, 61. [all data]

Krishnamachari and Singh, 1965
Krishnamachari, S.L.N.G.; Singh, M., Identification of the 1-0 and 1-2 bands of the c3«SIGMA»+ --> a3«PI» system of BF, Curr. Sci., 1965, 34, 23, 655-656. [all data]

Dull, 1935
Dull, R.B., Note on the spectrum of boron fluoride, Phys. Rev., 1935, 47, 458. [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]

Onaka, 1957
Onaka, R., Study of the A1«PI» --> X1«SIGMA»+ bands of the B11F with a vaccum echelle spectrograph, J. Chem. Phys., 1957, 27, 374. [all data]

Lebreton, Ferran, et al., 1975
Lebreton, J.; Ferran, J.; Marsigny, L., The Cameron system of boron monofluoride, BF, J. Phys. B:, 1975, 8, 465. [all data]

Lovas and Johnson, 1971
Lovas, F.J.; Johnson, D.R., Microwave spectrum of BF, J. Chem. Phys., 1971, 55, 41. [all data]

Lefebvre-Brion and Moser, 1965
Lefebvre-Brion, H.; Moser, C.M., Calculation of Rydberg levels in NO and BF, J. Mol. Spectrosc., 1965, 15, 211. [all data]

Pathak and Maheshwari, 1967
Pathak, A.N.; Maheshwari, R.C., Franck-Condon factors & r-centroids for (b3«SIGMA»+ --> a3«PI») system of boron monofluoride molecule, Indian J. Pure Appl. Phys., 1967, 5, 138. [all data]

Hesser and Dressler, 1966
Hesser, J.E.; Dressler, K., Radiative lifetimes of ultraviolet molecular transitions, J. Chem. Phys., 1966, 45, 3149. [all data]

Hesser, 1968
Hesser, J.E., Absolute Transition Probabilities in Ultraviolet Molecular Spectra, J. Chem. Phys., 1968, 48, 6, 2518, https://doi.org/10.1063/1.1669477 . [all data]

Wentink and Spindler, 1970
Wentink, T., Jr.; Spindler, R.J., Jr., Franck-Condon Factors and r-centroids for No+, CP, SiF, BF, BCl, and BBr, J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 609. [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]

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]

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, 1971
Hildenbrand, D.L., First ionization potentials of the molecules BF, SiO and GeO, Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 255. [all data]

Nesbet, 1964
Nesbet, R.K., Electronic structure of N2, CO, and BF, J. Chem. Phys., 1964, 40, 12, 3619-3633. [all data]

Huo, 1965
Huo, W.M., Electronic structure of CO and BF, J. Chem. Phys., 1965, 43, 624. [all data]

Hegstrom and Lipscomb, 1966
Hegstrom, R.A.; Lipscomb, W.N., Magnetic properties of the BH molecule, J. Chem. Phys., 1966, 45, 7, 2378-2383. [all data]


Notes

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