Potassium sodide

Formula: KNa
Molecular weight: 62.0881
IUPAC Standard InChI: InChI=1S/K.Na
IUPAC Standard InChIKey: BITYAPCSNKJESK-UHFFFAOYSA-N
CAS Registry Number: 12056-29-0
Chemical structure:
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Constants of diatomic molecules

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

Data collected through March, 1977

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 ²³Na³⁹K
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
E	25228 1	95.8₅ H	0.94								E ← X R	25214 H
E	↳Sinha, 1948
D (¹Π)	20090.6	82.17 H	0.350	-.00814							D ← X R	20070.0 H
D (¹Π)	↳Loomis and Arvin, 1934; missing citation
C ¹Π	16993.8	71.3₃ Z	1.23₆ 2	8.₈E-3	0.0574₄	0.00007₈ 3		32.1E-₇ 4		4.50₅	C ← X R	16967.2 Z
C ¹Π	↳Loomis and Arvin, 1934; missing citation; Allegrini, Moi, et al., 1977
A (¹Σ⁺)	12139.7	79.85₂ H	0.0872	-3.89E-3	5						A ← X R	12118.0 H
A (¹Σ⁺)	↳Loomis and Arvin, 1934
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
X ¹Σ⁺	0	124.134 Z	0.511 6		0.0905	0.000458₄ 7		8.19E-₇ 4		3.58₉ 8
	↳Dagdigian and Wharton, 1972
	magn. reson. 9
	↳missing citation
Note: It now appears that the ground state constants of Toueg, 1974 are unreliable; the uncertainty also affects the new results for the C state Allegrini, Moi, et al., 1977 [Arimondo, private comm. 1978]

Notes

Recalculated; Sinha, 1948 gives 25201 which must be erroneous.

ω_ez_e = -0.00022₃. All constants obtained from a study of the C state vibrational-rotational structure by laser excitation and collision-induced dissociation Allegrini, Moi, et al., 1977. Similar vibrational constants have been derived by Loomis and Arvin, 1934 from absorption and magnetic rotation spectra; convergence limit at 18025 ± 250 cm^-1 above X ¹Σ+(v=0), corresponding to Na(²S) + K(4p ²P).

missing note

Centrifuga1 distortion constants as given by Allegrini, Moi, et al., 1977 and Toueg, 1974; there is no agreement with D_e values calculated from 4B_e³/ω_e².

Perturbations (possibly by a ³Π state) are very likely the cause for the appearance of a weak magnetic rotation spectrum.

ω_ex_e= -7.₉E-5(v+1/2)³ - 2.4₇E-7(v+1/2)⁴ - 2.5₀E-7(v+1/2)⁵ Toueg, 1974.

α_v= -9.4E-7(v+1/2)² - 9.08E-8(v+1/2)³ Toueg, 1974.

Mol. beam re electric 12

g_J = -0.0253 μ_N Brooks, Anderson, et al., 1972. For an NMR experiment using-optical pumping see Konig and Weber, 1976.

Extrapolation of the vibrational levels in C ¹Π assuming that this state has no potential maximum.

Photoionization appearance potential Foster, Leckenby, et al., 1969.

μ_el(v=0) = 2.66₇ D [recalculated from μ0²/B0 = 3.966E-19 cm³ Dagdigian and Wharton, 1972 with the new value for B₀]. Electric quadrupole coupling constants Dagdigian and Wharton, 1972; see also Brooks, Anderson, et al., 1972.

References

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Sinha, 1948
Sinha, S.P., Ultra-violet bands of NaK, Proc. Phys. Soc. London, 1948, 60, 447. [all data]

Loomis and Arvin, 1934
Loomis, F.W.; Arvin, M.J., The band spectrum of NaK, Phys. Rev., 1934, 46, 286. [all data]

Allegrini, Moi, et al., 1977
Allegrini, M.; Moi, L.; Armondo, E., Investigation of C¹Π state in NaK molecules by laser excitation and collision-induced dissociation, Chem. Phys. Lett., 1977, 45, 245. [all data]

Dagdigian and Wharton, 1972
Dagdigian, P.J.; Wharton, L., Molecular beam electric deflection and resonance spectroscopy of the heteronuclear alkali dimers: ³⁹K⁷Li, Rb⁷Li, ³⁹K²³Na, Rb²³Na, and ¹³³Cs²³Na, J. Chem. Phys., 1972, 57, 1487. [all data]

Toueg, 1974
Toueg, Thesis, quoted by Allegrini, Moi, et al., 1977, University of Columbia, 1974, 1. [all data]

Brooks, Anderson, et al., 1972
Brooks, R.A.; Anderson, C.H.; Ramsey, N.F., Molecular beam experiments on KNa and LiNa, J. Chem. Phys., 1972, 56, 5193. [all data]

Konig and Weber, 1976
Konig, F.; Weber, H.G., NMR in Na₂ and NaK by optical pumping, Chem. Phys. Lett., 1976, 44, 293. [all data]

Foster, Leckenby, et al., 1969
Foster, P.J.; Leckenby, R.E.; Robbins, E.J., The ionization potentials of clustered alkali metal atoms, J. Phys. B:, 1969, 2, 478. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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