caesium fluoride

Formula: CsF
Molecular weight: 151.9038551
IUPAC Standard InChI: InChI=1S/Cs.FH/h;1H/q+1;/p-1
IUPAC Standard InChIKey: XJHCXCQVJFPJIK-UHFFFAOYSA-M
CAS Registry Number: 13400-13-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Cesium fluoride
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through November, 1976

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ¹³³Cs¹⁹F
State	T_e	ω_e	ω_ex_e	B_e	α_e	D_e	β_e	r_e
Several autoionizing states 1 at and above 12.1 eV Berkowitz, 1969, also observed in the electron energy loss spectra of Geiger and Pfeiffer, 1968.
↳Geiger and Pfeiffer, 1968; Berkowitz, 1969
Continuous absorption with maximum at 47700 cm^-1, preceded by diffuse absorption bands (fluctuation b.) in the region 43700 - 36900 cm^-1. See note d of CsBr.
↳Barrow and Caunt, 1953
X ¹Σ⁺	0	352.56 2	1.61₅ 2	0.18436969	0.0011765₂ 3	2.0168E-07 4	3.1E-10	2.345351 5
	↳Baikov and Vasilevskii, 1967
	Microwave sp.
	↳Honig, Stitch, et al., 1953; Veazey and Gordy, 1965; Honerjager and Tischer, 1973; Honerjager and Tischer, 1974
	Mol. beam el. reson. 6
	↳Trischka, 1948; Trischka, 1956; Graff and Runolfsson, 1965; English and Zorn, 1967; Hebert, Lovas, et al., 1968; Bennewitz, Haerten, et al., 1971
	Mol beam magn. reson.
	↳Mehran, Brooks, et al., 1966

Notes

Interpretation analogous to CsBr (see note c of CsBr).

Derived from the rotational constants Honerjager and Tischer, 1974; good agreement with infrared results Baikov and Vasilevskii, 1967. See also Ritchie and Lew, 1964.

α_v= +1.18E-6(v+1/2)² + 1.7₇E-8(v+1/2)³ Honerjager and Tischer, 1974.

Also higher order constants Honerjager and Tischer, 1974.

IR sp.

μ_el = [7.8478+0.07026(v+1/2) + 0.000195(v+1/2)²] D Hebert, Lovas, et al., 1968, Bennewitz, Haerten, et al., 1971; eqQ(¹³³Cs) = +[1245.2-16.2(v+1/2)+0.3l(v+1/2)²] kHz English and Zorn, 1967, Bennewitz, Haerten, et al., 1971; g_J(v=0) = (-)0.06420 μ_N, for v ≠ 0 see Graff and Runolfsson, 1965, Honerjager and Tischer, 1973; see also Mehran, Brooks, et al., 1966.

Thermochemical value Brewer and Brackett, 1961; see also Bulewicz, Phillips, et al., 1961, Scheer and Fine, 1962, Stull and Prophet, 1971.

Adiabatic ionization potential from the photoelectron spectrum Berkowitz, Dehmer, et al., 1973; vertical I.P. at 9.6₀ eV.

References

Go To: Top, Constants of diatomic molecules, Notes

Berkowitz, 1969
Berkowitz, J., Photoionization of high-temperature vapors. V. Cesium halides; chemical shift of autoionization, J. Chem. Phys., 1969, 50, 3503. [all data]

Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C., Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen, Z. Phys., 1968, 208, 105. [all data]

Barrow and Caunt, 1953
Barrow, R.F.; Caunt, A.D., The ultra-violet absorption spectra of some gaseous alkali-metal halides and the dissociation energy of fluorine, Proc. R. Soc. London A, 1953, 219, 120. [all data]

Baikov and Vasilevskii, 1967
Baikov, V.I.; Vasilevskii, K.P., Infrared spectra of sodium, potassium, rubidium, and cesium fluoride vapors, Opt. Spectrosc. Engl. Transl., 1967, 22, 198, In original 364. [all data]

Honig, Stitch, et al., 1953
Honig, A.; Stitch, M.L.; Mandel, M., Microwave spectra of CsF, CsCl, and CsBr, Phys. Rev., 1953, 92, 901. [all data]

Veazey and Gordy, 1965
Veazey, S.E.; Gordy, W., Millimeter-wave molecular-beam spectroscopy: alkali fluorides, Phys. Rev. A: Gen. Phys., 1965, 138, 1303. [all data]

Honerjager and Tischer, 1973
Honerjager, R.; Tischer, R., Hochtemperatur-Mikrowellenspektrometer fur Zeeman-Effekt-Messungen an diamagnetischen Molekeln. gJ - Faktor von TlF, CsF, CsCl, CsBr, CsI und Anistropie der magnetischen suszeptibilitat von TlF, CsF und CsCl, Z. Naturforsch. A, 1973, 28, 458. [all data]

Honerjager and Tischer, 1974
Honerjager, R.; Tischer, R., Mikrowellenrotationsspektren der Molekeln CsF, CsCl, CsBr und CsI, Z. Naturforsch. A, 1974, 29, 819. [all data]

Trischka, 1948
Trischka, J.W., Nuclear quadrupole interaction in CsF, Phys. Rev., 1948, 74, 7, 718-727. [all data]

Trischka, 1956
Trischka, J., Electric dipole moments of the lower vibrational states of molecular CsF and CsCl, J. Chem. Phys., 1956, 25, 784. [all data]

Graff and Runolfsson, 1965
Graff, G.; Runolfsson, O., Gleichzeitige Messung von Hyperfeinstruktur, Starkeffekt und Zeemaneffekt des ¹³³Cs¹⁹F mit einer molekulstrahl-resonanzapparatur, Z. Phys., 1965, 187, 140. [all data]

English and Zorn, 1967
English, T.C.; Zorn, J.C., Molecular beam measurement of the hyperfine structure of ¹³³Cs¹⁹F, J. Chem. Phys., 1967, 47, 3896. [all data]

Hebert, Lovas, et al., 1968
Hebert, A.J.; Lovas, F.J.; Melendres, C.A.; Hollowell, C.D.; Story, T.L., Jr.; Street, K., Jr., Dipole moments of some alkali halide molecules by the molecular beam electric resonance method, J. Chem. Phys., 1968, 48, 2824. [all data]

Bennewitz, Haerten, et al., 1971
Bennewitz, H.G.; Haerten, R.; Klais, O.; Muller, G., Molecular-beam measurement of the electric dipole moment and the quadrupole coupling constant of CsF in vibrational states up to v = 8, Chem. Phys. Lett., 1971, 9, 19. [all data]

Mehran, Brooks, et al., 1966
Mehran, F.; Brooks, R.A.; Ramsey, N.F., Rotational magnetic moments of alkali-halide molecules, Phys. Rev., 1966, 141, 93. [all data]

Ritchie and Lew, 1964
Ritchie, R.K.; Lew, H., Infrared spectra of NaF and KF, Can. J. Phys., 1964, 42, 43. [all data]

Brewer and Brackett, 1961
Brewer, L.; Brackett, E., The dissociation energies of gaseous alkali halides, Chem. Rev., 1961, 61, 425. [all data]

Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M., Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals, Trans. Faraday Soc., 1961, 57, 921. [all data]

Scheer and Fine, 1962
Scheer, M.D.; Fine, J., Entropies, heats of sublimation, and dissociation energies of the cesium halides, J. Chem. Phys., 1962, 36, 1647. [all data]

Stull and Prophet, 1971
Stull, D.R.; Prophet, H., JANAF Thermochemical Tables. Second Edition, Office of SRD (NSRDS-NBS 37), Washington, D.C., 1971, 0. [all data]

Berkowitz, Dehmer, et al., 1973
Berkowitz, J.; Dehmer, J.L.; Walker, T.E.H., PES of high-temperature vapors. IV. The cesium halides. Effect of spin-orbit interaction on the photoelectron and mass spectra of the alkali halides, J. Chem. Phys., 1973, 59, 3645. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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