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potassium chloride

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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 January, 1977

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 39K35Cl
Several peaks in the elctron energy loss spectrum above 19 eV Geiger and Pfeiffer, 1968 may be associated with excitation of an electron from the metal 3p shell of K+ Cl-.
Continuous absorption above 36000 cm-1, maxima at 40100, 41100 cm-1. 1
Muller, 1927; Levi, 1934; Davidovits and Brodhead, 1967
ADiffuse fluctuation bands in absorption from 30000 to 36000 cm-1. 2 The chemiluminescence spectrum consists of a long lower-state vibrational progression extending from 17000 to 24000 cm-1 in a beam-gas arrangement Oldenborg, Gole, et al., 1974 and from 20000 to 36000 in flames Beutler and Josephy, 1929, Levi, 1934, Kaufmann, Kinsey, et al., 1974. 2
Beutler and Josephy, 1929; Levi, 1934; Oldenborg, Gole, et al., 1974; Kaufmann, Kinsey, et al., 1974
X 1Sigma+ 0 281 3 (1.30)  0.12863476 0.0007899 1.63E-6 1.0874 -8.3E-11 2.66665 4  
Rice and Klemperer, 1957
Rotation sp.
Lee, Fabricand, et al., 1953; Tate and Strandberg, 1954; Clouser and Gordy, 1964
Mol. beam rf. el. reson. 5
missing citation; Hebert, Lovas, et al., 1968


1UV absorption cross sections Davidovits and Brodhead, 1967. In the electron energy loss spectrum Geiger and Pfeiffer, 1968, there are peaks at 42000, 53000, and 68000 cm-1.
2See CsBr note d. From the emission data Kaufmann, Kinsey, et al., 1974, have derived a tentative potential energy curve for the upper state (see KBr note d); D'e ~450 cm-1.
3From the IR spectrum. The Dunham theory applied to the microwave results gives omegae = 279.80, omegaexe = 1.167.
4Rot.-vibr. sp. 8
5muel[D] = 10.2391 + 0.05966(v+1/2) + 0.00019(v+1/2)2 missing citation, Hebert, Lovas, et al., 1968; nuclear electric quadrupole and spin-rotation coupling constants missing citation.
6Thermochemical value Brewer and Brackett, 1961, Bulewicz, Phillips, et al., 1961; the analysis of the fluctuation bands gave D00 = 4.39 eV Levi, 1934 (and omega" = 280 Levi, 1934) according to Levi, 1934, or D00 leq 4.66 eV Barrow and Caunt, 1953 (and omega" = 305 Barrow and Caunt, 1953) according to Barrow and Caunt, 1953.
7Adiabatic potential from the photoelectron spectrum of Potts, Williams, et al., 1974, not corrected for thermal population of ground state vibrational levels; the band maximum (vertical potential) is at 8.92 eV.
8IR study of matrix isolated KCl Ismail, Hauge, et al., 1975.
9From D00(KCl) + I.P.(K) - I.P.(KCl) Potts, Williams, et al., 1974, give 0.19 eV.
10From the maxima in the photoelectron spectrum Potts, Williams, et al., 1974, missing citation. The two peaks corresponding to the 2P3/2 and 2P1/2 compoments of normal Cl are not resolved.


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

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]

Muller, 1927
Muller, L.A., 4. absorptionsspektren der alkalihalogenide in wasseriger losung und im dampf, Ann. Phys. (Leipzig), 1927, 82, 39. [all data]

Levi, 1934
Levi, Dissertation, Berlin, 1934, 0. [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]

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]

Beutler and Josephy, 1929
Beutler, H.; Josephy, B., Resonanz bei Stoben in der fluoreszenz und chemilumineszenz, Z. Phys., 1929, 53, 747. [all data]

Kaufmann, Kinsey, et al., 1974
Kaufmann, K.J.; Kinsey, J.L.; Palmer, H.B.; Tewarson, A., Chemiluminescent emission spectra and possible upper-state potentials of KCl and KBr, J. Chem. Phys., 1974, 61, 1865. [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]

Lee, Fabricand, et al., 1953
Lee, C.A.; Fabricand, B.P.; Carlson, R.O.; Rabi, I.I., Molecular beam investigation of rotational transitions. I. The rotational levels of KCl and their hyperfine structure, Phys. Rev., 1953, 91, 1395. [all data]

Tate and Strandberg, 1954
Tate, P.A.; Strandberg, M.W.P., Stark effect in the microwave spectra of KCl and NaCl, J. Chem. Phys., 1954, 22, 1380. [all data]

Clouser and Gordy, 1964
Clouser, P.L.; Gordy, W., Millimeter-wave molecular-beam spectroscopy: alkali chlorides, Phys. Rev., 1964, 134, 863. [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]

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]

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]

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]

Ismail, Hauge, et al., 1975
Ismail, Z.K.; Hauge, R.H.; Margrave, J.L., Infrared studies of matrix isolated sodium and potassium chloride and cyanide dimers, J. Mol. Spectrosc., 1975, 54, 402. [all data]


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