35Chlorine monofluoride
- Formula: ClF
- Molecular weight: 54.451
- IUPAC Standard InChI: InChI=1S/ClF/c1-2/i1+0
- IUPAC Standard InChIKey: OMRRUNXAWXNVFW-IGMARMGPSA-N
- CAS Registry Number: 21377-80-0
- Chemical structure:
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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 September, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| For binding energies of F(1s) and Cl(2s) core electrons in ClF see Carroll and Thomas, 1974. | ||||||||||||
| B 3Π0+ | 18826.4 | 363.1 Z | 8.64 1 | -0.124 | 0.3319 | 0.0047 | -0.000477 | (1.0E-06) | 2.031 | B ← X | 18614.3 2 Z | |
| ↳Schumacher, Schmitz, et al., 1950; Stricker and Krauss, 1968 | ||||||||||||
| X 1Σ+ | 0 | 786.15 3 Z | 6.161 3 | 0.5164788 | 0.0043577 | 8.77E-07 | 1.628313 | 4 | ||||
| ↳Nielsen and Jones, 1951; Jones, Parkinson, et al., 1950; Davis and Muenter, 1972; Lovas and Tiemann, 1974 | ||||||||||||
Notes
| 1 | The vibrational and rotational constants have been recalculated from data in Stricker and Krauss, 1968 for 3 ≤ v ≤ 8. Lower levels are not observed, higher levels are affected by a perturbation. See also Child and Bernstein, 1973. Convergence of v'-0 absorption progression at 21514 cm-1. |
| 2 | Extrapolated from the 3-0 band. |
| 3 | Recalculated by Coxon, 1975 from the infrared data of Nielsen and Jones, 1951. ν0 of the fundamental, 773.83 cm-1, agrees rather poorly with ΔG(1/2) = 773.46 from the electronic absorption spectrum Stricker and Krauss, 1968. |
| 4 | μel(v=0) = 0.8881 D Davis and Muenter, 1972; the sign of the dipole moment is +ClF- Green, 1973, Carroll and Thomas, 1974, Janda, Klemperer, et al., 1976, see however Ewing, Tigelaar, et al., 1972, McGurk, Norris, et al., 1973. eqQ(Cl) and other hyperfine structure constants in Davis and Muenter, 1972, Lovas and Tiemann, 1974. Zeeman effect Ewing, Tigelaar, et al., 1972, gJ = -0.1089 μN. |
| 5 | Of the two possible values derived from the convergence of the B-X system thermochemical data Nordine, 1974 strongly favor the higher value given here. But Coxon, 1975 considers the lower value D00= Schumacher, Schmitz, et al., 1950.5581 eV Coxon, 1975 equally likely; see also Dibeler, Walker, et al., 1970. |
| 6 | From the photoelectron spectrum Anderson, Mamantov, et al., 1971, DeKock, Higginson, et al., 1972; in good agreement with photoionization [12.65 eV Dibeler, Walker, et al., 1970] and electron impact [12.7 eV Irsa and Friedman, 1958] appearance potentials. |
| 7 | Predissociation (diffuseness) of 11-0, 12-0, 13-0 bands at 21254 - 21399 cm-1, See 1. |
| 8 | See 1. |
| 9 | From D00(ClF), I.P.(ClF), and I.P.(Cl). |
| 10 | From photoelectron spectra Anderson, Mamantov, et al., 1971, DeKock, Higginson, et al., 1972. |
| 11 | From DeKock, Higginson, et al., 1972; Anderson, Mamantov, et al., 1971 give 912 ± 30 cm-1. |
References
Go To: Top, 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.
Carroll and Thomas, 1974
Carroll, T.X.; Thomas, T.D.,
Charge distribution in ClF from core-electron binding energies,
J. Chem. Phys., 1974, 60, 2186. [all data]
Schumacher, Schmitz, et al., 1950
Schumacher, H.J.; Schmitz, H.; Brodersen, P.H.,
El espectro de bandas y el calor de disociacion del monofluoruro de cloro,
An. Asoc. Quim. Argent., 1950, 38, 98. [all data]
Stricker and Krauss, 1968
Stricker, W.; Krauss, L.,
Eine Untersuchung des O+ ← 1Σ+ - Systems des FCl35/FCl37 im Sichtbaren,
Z. Naturforsch. A, 1968, 23, 1116. [all data]
Nielsen and Jones, 1951
Nielsen, A.H.; Jones, E.A.,
The analysis of the infrared spectrum of chlorine monofluoride,
J. Chem. Phys., 1951, 19, 1117. [all data]
Jones, Parkinson, et al., 1950
Jones, E.A.; Parkinson, T.F.; Burke, T.G.,
The infra-red and Raman spectra of chlorine monofluoride,
J. Chem. Phys., 1950, 18, 235. [all data]
Davis and Muenter, 1972
Davis, R.E.; Muenter, J.S.,
Hyperfine structure constants of chlorine monofluoride,
J. Chem. Phys., 1972, 57, 2836. [all data]
Lovas and Tiemann, 1974
Lovas, F.J.; Tiemann, E.,
Microwave spectral tables. I. Diatomic molecules,
J. Phys. Chem. Ref. Data, 1974, 3, 609. [all data]
Child and Bernstein, 1973
Child, M.S.; Bernstein, R.B.,
Diatomic interhalogens: systematics and implications of spectroscopic interatomic potentials and curve crossings,
J. Chem. Phys., 1973, 59, 5916. [all data]
Coxon, 1975
Coxon, J.A.,
Dissociation energies of diatomic halogen fluorides,
Chem. Phys. Lett., 1975, 33, 136. [all data]
Green, 1973
Green, S.,
Calculated properties for ClF,
J. Chem. Phys., 1973, 58, 3117. [all data]
Janda, Klemperer, et al., 1976
Janda, K.C.; Klemperer, W.; Novick, S.E.,
Measurement of the sign of the dipole moment of ClF,
J. Chem. Phys., 1976, 64, 2698. [all data]
Ewing, Tigelaar, et al., 1972
Ewing, J.J.; Tigelaar, H.L.; Flygare, W.H.,
Molecular Zeeman effect, magnetic properties, and electric quadrupole moments in C1F, BrF, C1CN, BrCN, and ICN,
J. Chem. Phys., 1972, 56, 1957. [all data]
McGurk, Norris, et al., 1973
McGurk, J.; Norris, C.L.; Tigelaar, H.L.; Flygare, W.H.,
Molecular magnetic properties of FCl,
J. Chem. Phys., 1973, 58, 3118. [all data]
Nordine, 1974
Nordine, P.C.,
Dissociation energy of chlorine monofluoride,
J. Chem. Phys., 1974, 61, 224. [all data]
Dibeler, Walker, et al., 1970
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.,
Photoionization study of chlorine monofluoride and the dissociation energy of fluorine,
J. Chem. Phys., 1970, 53, 4414. [all data]
Anderson, Mamantov, et al., 1971
Anderson, C.P.; Mamantov, G.; Bull, W.E.; Grimm, F.A.; Carver, J.C.; Carlson, T.A.,
Photoelectron spectrum of chlorine monofluoride,
Chem. Phys. Lett., 1971, 12, 137. [all data]
DeKock, Higginson, et al., 1972
DeKock, R.L.; Higginson, B.R.; Lloyd, D.R.; Breeze, A.; Cruickshank, D.W.J.; Armstrong, D.R.,
Photoelectron spectra of halides. V. Experimental theoretical study of the electronic structures of ClF, ClF3, BrF and BrF3,
Mol. Phys., 1972, 24, 1059. [all data]
Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L.,
Mass spectra of halogen fluorides,
J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
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