boron fluoride
- Formula: BF
- Molecular weight: 29.809
- IUPAC Standard InChIKey: YFSQMOVEGCCDJL-UHFFFAOYSA-N
- CAS Registry Number: 13768-60-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Borane(1), fluoro-
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Gas phase ion energetics 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.
Data evaluated as indicated in comments:
L - Sharon G. Lias
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
View reactions leading to BF+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.12 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.0 ± 1.0 | EI | Farber and Srivastava, 1984 | LBLHLM |
11.12 ± 0.01 | PE | Dyke, Kirby, et al., 1983 | LBLHLM |
11.115 | EVAL | Huber and Herzberg, 1979 | LLK |
12. ± 1. | EI | Uy, Srivastava, et al., 1971 | LLK |
11.06 ± 0.10 | EI | Hildenbrand, 1971 | LLK |
~11.45 | S | Hildenbrand, 1971 | LLK |
11.115 ± 0.003 | S | Caton and Douglas, 1970 | RDSH |
Constants of diatomic molecules
Go To: Top, 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 April, 1976
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Rydberg | Rydberg series (abs.) beginning with D, J, P, ... : ν(1-0) = 91330 - R/(n-0.52)2 n≤18. | |||||||||||
↳missing citation | ||||||||||||
Rydberg series (abs.) beginning with D, J, P, ... : ν(0-0) = 89650 - R/(n-0.52)2 n≤15. | ||||||||||||
↳missing citation | ||||||||||||
Rydberg series (abs.) beginning with C, I, O, ... : ν(1-0) = 91330 - R/(n-0.66)2 n≤9. | ||||||||||||
↳Caton and Douglas, 1970 | ||||||||||||
Rydberg series (abs.) beginning with C, I, O, ... : ν(0-0) = 89650 - R/(n-0.66)2 n≤9. | ||||||||||||
↳Caton and Douglas, 1970 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
R 1Σ+ (6sσ) | [85848] 1 | R ← X V | 85150 H | |||||||||
↳Caton and Douglas, 1970 | ||||||||||||
P 1Π (5pπ) | 84077 | [1673] HQ | [1.6511] 2 | [6.4E-6] 2 | [1.2103] | P ← X V | 84215 HQ | |||||
↳Caton and Douglas, 1970 | ||||||||||||
O 1Σ+ (5pσ) | 83680.2 | 1676 H | 9.5 | [1.6275] | [5.6E-6] | [1.2190] | O ← X V | 83817.71 Z | ||||
↳Caton and Douglas, 1970 | ||||||||||||
L 1Σ+ (5sσ) | [83348.32] | [1.5578] | [-21.3E-6] | [1.2460] | L ← X V | 82650.21 Z | ||||||
↳Caton and Douglas, 1970 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
J 1Π (4pπ) | 80544 | [1673.09] Z | 1.6516 3 | 0.0162 | [6.5E-6] | 1.2101 | J ← X V | 80681.98 Z | ||||
↳Caton and Douglas, 1970 | ||||||||||||
h 3Π | 80230 | [1679.2] HQ | [1.6475] 4 | [6.2E-6] | [1.2116] | h → b V | 19225.28 Z | |||||
↳Caton and Douglas, 1970 | ||||||||||||
I 1Σ+ (4pσ) | 79631.39 | 1666.28 Z | 12.57 | 1.6382 | 0.0174 | [6.4E-6] | 1.2150 | I ← X V | 79763.28 Z | |||
↳Caton and Douglas, 1970 | ||||||||||||
H 1Σ+ (3dσ) | [79389.32] | [1.6511] | [13.0E-6] | [1.2103] | H ← X V | 78691.21 Z | ||||||
↳Caton and Douglas, 1970 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
g 3Σ+ | [78771.9] | [1.6765] | 5.1E-6 | [1.2011] | g → b 5 V | 16927.59 Z | ||||||
↳Caton and Douglas, 1970 | ||||||||||||
F 1Π (3dπ) | (77406) | (1670) 6 | [1.6723] 7 8 | [8.9E-6] | [1.2026] | F → A V | 26454.13 | |||||
↳missing citation | ||||||||||||
F ← X V | 77542.79 Z | |||||||||||
↳Caton and Douglas, 1970 | ||||||||||||
f 3Π | 77405 | [1678.1] Z | [1.6417] 9 | [5.0E-6] | [1.2138] | f → c V | 10428.15 Z | |||||
↳missing citation | ||||||||||||
f → b V | 16400.10 Z | |||||||||||
↳Caton and Douglas, 1970 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
G 1Σ+ (4sσ) | 76952 | [1685.63] Z | 1.6054 | 0.0147 | [1.2E-6] 10 | 1.2074 | G → B V | 11596.99 | ||||
↳missing citation | ||||||||||||
G ↔ X V | 77096.41 Z | |||||||||||
↳Mal'tsev, 1960; missing citation | ||||||||||||
E 1Δ (3dδ) | (76292) | (1581) 6 | [1.6209] 11 | [6.4E-6] | [1.2215] | E → A 5 | 25295.69 Z | |||||
↳missing citation; missing citation | ||||||||||||
e 3Σ+ | 75916 | [1654.29] Z | 1.6447 | 0.0151 | [6.3E-6] | 1.2126 | e → b 5 | 14899.56 Z | ||||
↳missing citation; Czarny and Felenbok, 1968; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
D 1Π (3pπ) | 72144.42 | [1661.96] Z | 11.7 HQ | 1.6282 12 | 0.0170 | [6.3E-6] | 1.2188 | D ↔ X V | 72286.06 Z | |||
↳Chretien and Miescher, 1949; Chretien, 1950; Mal'tsev, 1960; missing citation | ||||||||||||
d 3Π | 70710.4 | 1696.71 Z | 11.01 | 1.6517 13 14 | 0.0176 15 | [6.5E-6] | 1.2101 | d → b | 9711.65 Z | |||
↳missing citation | ||||||||||||
C 1Σ+ (3pσ) | 69030.38 | 1613.10 Z | 14.50 | 1.6238 | 0.0194 | [7.3E-6] | 1.2204 | C → A V | 18046.53 Z | |||
↳missing citation | ||||||||||||
C ↔ X V | 69135.19 Z | |||||||||||
↳Chretien and Miescher, 1949; missing citation; Mal'tsev, 1960; Caton and Douglas, 1970 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
c 3Σ+ | 67045 | [1541.3] Z | [1.6030] 16 | [5.5E-6] 16 | [1.2283] | c → a V | 38011.97 Z | |||||
↳Strong and Knauss, 1936; Barrow, Premaswarup, et al., 1958; Krishnamachari and Singh, 1965 | ||||||||||||
B 1Σ+ (3sσ) | 65353.93 | 1693.51 Z | 12.61 | 1.6590 | 0.0178 | [7.6E-6] | 1.2074 | B → A V | 14410.76 | |||
↳missing citation | ||||||||||||
B ↔ X V | 65499.42 Z | |||||||||||
↳Chretien and Miescher, 1949; missing citation; Mal'tsev, 1960; Caton and Douglas, 1970 | ||||||||||||
b 3Σ+ | 61035.3 | 1629.28 Z | 22.255 | 1.6385 | 0.0200 17 | [7.0E-6] | 1.2149 | b → 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A 1Π | 51157.45 | 1264.96 Z | 12.53 19 | 1.4227 20 | 0.0180 21 | [7.3E-6] | 1.3038 | A ↔ X 22 23 R | 51088.66 Z | |||
↳Chretien and Miescher, 1949; missing citation; Onaka, 1957; missing citation; Caton and Douglas, 1970 | ||||||||||||
a 3Πr | 29144.3 24 | 1323.86 Z | 9.20 25 | 1.4135 26 | 0.0158 | [6.3E-6] | 1.3081 | a → X R | 29105.8 Z | |||
↳Lebreton, Ferran, et al., 1975 | ||||||||||||
X 1Σ+ | 0 | 1402.13 Z | 11.84 27 | [1.507235] | 0.0198 | [7.6E-6] | 1.26259 28 | |||||
↳Lovas and Johnson, 1971 |
Notes
1 | Approximate description of the Rydberg electron Caton and Douglas, 1970; see also Lefebvre-Brion and Moser, 1965. |
2 | Computed from the data for 10B9F: B0 = 1.7551, D0 = 7.2E-6, Δνef = +0.0146J(J+1). |
3 | Δνef = +0.0056J(J+1) - ... |
4 | Δνef = +0.0024N(N+l). |
5 | Headless band. |
6 | Estimated from observed isotope shifts. |
7 | Δνef = +0.0423J(J+1) - ... |
8 | Lines with J' ≤ ~6 are weak or absent, both in emission and in absorption. |
9 | Δνef = -0.0289N(N+1)+ ... |
10 | D1 = 22.8E-6 |
11 | Δνef ~ -4E-7J2(J+1)2. |
12 | Δνef = +0.0009J(J+1). |
13 | Δνef = +0.0011N(N+1). |
14 | The emission from v=4 consists of Q branch lines only. |
15 | missing note |
16 | From 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. |
17 | missing note |
18 | Franck-Condon factors Pathak and Maheshwari, 1967. |
19 | This state may have a potential hump of ~0.22 eV. |
20 | Δνef ~ -0.0002J(J+1). |
21 | missing note |
22 | Radiative lifetime τ(v=0,1,2) = 2.8 ns; f00 = 0.40 Hesser and Dressler, 1966, Hesser, 1968. |
23 | Franck Condon factors Wentink and Spindler, 1970. |
24 | A = 24.25. |
25 | missing note |
26 | Λ-type doubling; see Barrow, Premaswarup, et al., 1958. |
27 | missing note |
28 | Microwave sp. 31 |
29 | Thermochemical value (mass-spectrom.) Hildenbrand and Murad, 1965, Murad, Hildenbrand, et al., 1966. Extrapolation of A 1Π gives 8.02 eV Barrow, 1960. |
30 | Extrapolation of Rydberg series; 11.06 eV by electron impact Hildenbrand, 1971. |
31 | μel(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 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.
Farber and Srivastava, 1984
Farber, M.; Srivastava, R.D.,
Electron and thermal dissociation of BF3(g),
J. Chem. Phys., 1984, 81, 241. [all data]
Dyke, Kirby, et al., 1983
Dyke, J.M.; Kirby, C.; Morris, A.,
Study of the ionization process BF+ (X2Σ+)←BF(X1Σ+) by high-temperature photolectron spectroscopy,
J. Chem. Soc. Faraday Trans. 2, 1983, 79, 483. [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]
Uy, Srivastava, et al., 1971
Uy, O.M.; Srivastava, R.D.; Farber, M.,
Mass spectrometric determination of the heats of formation of gaseous BO2 BOF2,
High Temp. Sci., 1971, 3, 462. [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]
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 3Σ - 3Σ 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 c3Σ, b3Σ-a3Π 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 c3Σ+ → a3Π 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 A1Π → X1Σ+ 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 (b3Σ+ → a3Π) 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]
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 ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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