Lithium, compound with sodium (1:1)
- Formula: LiNa
- Molecular weight: 29.931
- IUPAC Standard InChI: InChI=1S/Li.Na
- IUPAC Standard InChIKey: VVNXEADCOVSAER-UHFFFAOYSA-N
- CAS Registry Number: 12333-49-2
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 5.05 ± 0.04 | PI | Kappes and Schumacher, 1985 | LBLHLM |
| 4.94 ± 0.10 | EI | Zmbov, Wu, et al., 1977 | LLK |
Constants of diatomic molecules
Go To: Top, Gas phase ion energetics data, References, Notes
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
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| B 1Π | [0.307] 1 2 | [3.20] 1 2 | B → X R | 20226.01 2 Z | ||||||||
| ↳Hessel, 1971 | ||||||||||||
| X 1Σ | 0 | 256.8 Z | 1.612 | -0.0075 | 0.396 | 0.0036 | 2.81 3 | |||||
| ↳Graff, Dagdigian, et al., 1972 | ||||||||||||
| and magn. reson. | ||||||||||||
| ↳Brooks, Anderson, et al., 1972 | ||||||||||||
Notes
| 1 | Λ-type doubling, Δvef = +1.95E-4J(J+1). |
| 2 | v' numbering unknown. |
| 3 | Mol. beam rf electric 4 |
| 4 | μel(v=0) = 0.463 D; quadrupole coupling constants Graff, Dagdigian, et al., 1972, for 7Li in disagreement with the value from the magnetic resonance spectrum Brooks, Anderson, et al., 1972. See also Dagdigian, Graff, et al., 1971 [molecular beam electric deflection] and Rosmus and Meyer, 1976 [ab initio calculation, dipole moment function]. |
| 5 | Theoretical calculation of Habitz and Schwarz, 1975, confirmed by the elastic Na+-on-Li scattering data of von Busch, Hormes, et al., 1975. Slightly lower values computed by Oppenheimer, Bottcher, et al., 1972 and Bertoncini, Das, et al., 1970 who give also results for other spectroscopic constants. |
References
Go To: Top, Gas phase ion energetics data, 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.
Kappes and Schumacher, 1985
Kappes, M.M.; Schumacher, E.,
Generation, spectroscopic and chemical characterization of metal clusters (Mx, x < 65), a progress report,
Surf. Sci., 1985, 156, 1. [all data]
Zmbov, Wu, et al., 1977
Zmbov, K.F.; Wu, C.H.; Ihle, H.R.,
A mass spectrometric study of heteronuclear diatomic alkali metal molecules. Dissociation energies ionization potentials of NaLi, KLi, NaK,
J. Chem. Phys., 1977, 67, 4603. [all data]
Hessel, 1971
Hessel, M.M.,
Experimental observation of the NaLi molecule,
Phys. Rev. Lett., 1971, 26, 215. [all data]
Graff, Dagdigian, et al., 1972
Graff, J.; Dagdigian, P.J.; Wharton, L.,
Electric resonance spectrum NaLi,
J. Chem. Phys., 1972, 57, 710. [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]
Dagdigian, Graff, et al., 1971
Dagdigian, P.J.; Graff, J.; Wharton, L.,
Stark effect of NaLi X1Σ+,
J. Chem. Phys., 1971, 55, 4980. [all data]
Rosmus and Meyer, 1976
Rosmus, P.; Meyer, W.,
Spectroscopic constants and the dipole moment functions for the 1Σ+ ground state of NaLi,
J. Chem. Phys., 1976, 65, 492. [all data]
Habitz and Schwarz, 1975
Habitz, P.; Schwarz, W.H.E.,
Nonadiabatic transitions in diatoms with one valence electron: calculations of potential curves and differential cross sections for Li+ + Na,
Chem. Phys. Lett., 1975, 34, 248. [all data]
von Busch, Hormes, et al., 1975
von Busch, F.; Hormes, J.; Liesen, H.D.,
Nonadiabatic transitions in diatoms with one valence electron: measurement of differential Li+-Na scattering,
Chem. Phys. Lett., 1975, 34, 244. [all data]
Oppenheimer, Bottcher, et al., 1972
Oppenheimer, M.; Bottcher, C.; Dalgarno, A.,
The charge transfer spectrum of (LiNa)+,
Chem. Phys. Lett., 1972, 15, 24. [all data]
Bertoncini, Das, et al., 1970
Bertoncini, P.J.; Das, G.; Wahl, A.C.,
Theoretical study of the 1Σ+, 3Σ+, 3Π, 1Π states of NaLi and the 2Σ+ state of NaLi+,
J. Chem. Phys., 1970, 52, 5112. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
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