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Cesium iodide

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 November, 1976

Symbols used in the table of constants
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 133Cs127I
Autoionizing levels at and above 12.6 eV Berkowitz, 1969; these states are also seen in the electron energy loss spectrum of Geiger and Pfeiffer, 1968. Interpretation analogous to CsBr.
Geiger and Pfeiffer, 1968; Berkowitz, 1969
Continuous absorption with maxima at 54050, 50250, 46500, 41400, 38800, 30900 cm-1 Schmidt-Ott, 1931, Barrow and Caunt, 1953, Davidovits and Brodhead, 1967, followed by diffuse absorption bands (fluctuation b.) in the region 29140 - 22900 cm-1 Sommermeyer, 1929, Barrow and Caunt, 1953. The chemiluminescence spectrum Oldenborg, Gole, et al., 1974 consisting of a long lower-state vibrational progression extends from 25000 - 18000 cm-1. See note d of CsBr.
Sommermeyer, 1929; Schmidt-Ott, 1931; Barrow and Caunt, 1953; Davidovits and Brodhead, 1967; Oldenborg, Gole, et al., 1974
X 1Sigma+ 0 119.178 1 0.2505 1  0.023627357 0.000068263 2  3.7146E-09 3 0.00230 3.315192 4  
Honig, Stitch, et al., 1953; Rusk and Gordy, 1962; Honerjager and Tischer, 1974


1Derived from the rotational constants Honerjager and Tischer, 1974. See also Barrow and Caunt, 1953, Rice and Klemperer, 1957.
2alphav= +4.89E-8(v+1/2)2 + 1.14E-10(v+1/2)3 Honerjager and Tischer, 1974.
3Also higher order constants Honerjager and Tischer, 1974.
4Microwave sp. 7
5Average of a thermochemical value Brewer and Brackett, 1961 and a value obtained from photodissociative ionization of CsI Berkowitz, 1969. See also Bulewicz, Phillips, et al., 1961, Scheer and Fine, 1962.
6From photoionization mass-spectrometry Berkowitz, 1969. The adiabatic ionization potential from photoelectron spectroscopy Berkowitz, Dehmer, et al., 1973, Potts, Williams, et al., 1974 is 7.10 eV; the first and second vertical potentials are 7.54 and 8.46 eV (average values).
7muel = 11.69D Story and Hebert, 1976 (molecular beam electric deflection) Story and Hebert, 1976; eqQ(127I) = -[14.28 + 2.10(v+1/2)] MHz, |eqQ(133Cs)| leq 1 MHz Hoeft, Tiemann, et al., 1972; |gJ| < 0.0036 muN Honerjager and Tischer, 1973.
8From the photoionization data of Berkowitz, 1969. Using 7.10 instead of 7.25 eV for I.P.(CsI) (see 6) would increase this value to 0.36 eV.


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Schmidt-Ott, 1931
Schmidt-Ott, H.D., Uber kontinuierliche absorptionsspektra der gasformigen alkalihalogenide im ultraviolett, Z. Phys., 1931, 69, 724. [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]

Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C., Ultraviolet absorption cross sections for the alkali halide vapors, J. Chem. Phys., 1967, 46, 2968. [all data]

Sommermeyer, 1929
Sommermeyer, K., Ein neues spektrum der gasformigen alkalihalogenide und seine deutung, Z. Phys., 1929, 56, 548. [all data]

Oldenborg, Gole, et al., 1974
Oldenborg, R.C.; Gole, J.L.; Zare, R.N., Chemiluminescent spectra of alkali-halogen reactions, J. Chem. Phys., 1974, 60, 4032. [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]

Rusk and Gordy, 1962
Rusk, J.R.; Gordy, W., Millimeter wave molecular beam spectroscopy: alkali bromides and iodides, Phys. Rev., 1962, 127, 817. [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]

Rice and Klemperer, 1957
Rice, S.A.; Klemperer, W., Spectra of the alkali halides. II. The infrared spectra of the sodium and potassium halides, RbCl, and CsCl, J. Chem. Phys., 1957, 27, 573. [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]

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]

Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C., Photoelectron spectra and electronic structure of diatomic alkali halides, Proc. Roy. Soc. London A, 1974, 341, 147. [all data]

Story and Hebert, 1976
Story, T.L., Jr.; Hebert, A.J., Dipole moments of KI, RbBr, RbI, CsBr, and CsI by the electric deflection method, J. Chem. Phys., 1976, 64, 855. [all data]

Hoeft, Tiemann, et al., 1972
Hoeft, J.; Tiemann, E.; Torring, T., Hyperfeinstruktur von CsJ, Z. Naturforsch. A, 1972, 27, 1017. [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]


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