lithium (2H)hydride
- Formula: DLi
- Molecular weight: 8.955
- IUPAC Standard InChI: InChI=1S/Li.H/i;1+1
- IUPAC Standard InChIKey: SIAPCJWMELPYOE-IEOVAKBOSA-N
- CAS Registry Number: 13587-16-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Lithium deuteride
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.337 ± 0.012 | LPES | Sarkas, Hendricks, et al., 1994 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.7 ± 0.1 | EI | Ihle and Wu, 1975 | 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 | 34908.8 | 178.70 Z | 29.13 1 | -3.51 1 | 1.904 2 | 0.425 3 | 0.44E-3 4 | 0.63E-3 | 2.379 | B ← X R | 34466.27 Z | |
| ↳Velasco, 1957; Stwalley, Way, et al., 1974 | ||||||||||||
| A 1Σ+ | 26513 | [205.6] 5 | [1.6125] 6 7 | [0.3508E-3] 6 | 2.590 | A ↔ X R | 26082.8 Z | |||||
| ↳Crawford and Jorgensen, 1935; Ennen and Ottinger, 1975 | ||||||||||||
| X 1Σ+ | 0 | 1054.803 Z | 12.935 8 | 4.2394 9 | 0.1000 9 | 0.2756E-3 10 | 1.5941 11 | |||||
| ↳Pearson and Gordy, 1969 | ||||||||||||
| Mol. beam electric 12 | ||||||||||||
| ↳Wharton, Gold, et al., 1962; Rothstein, 1969; Freeman, Jacobson, et al., 1975 | ||||||||||||
| and magn. Reson. | ||||||||||||
| ↳Lawrence, Anderson, et al., 1963 | ||||||||||||
Notes
| 1 | (v = 0...3) Stwalley, Way, et al., 1974. |
| 2 | All four observed levels are predissociated by rotation; breaking off above J'= 12,9,6,2 in v'= 0,1,2,3. Dissociation limit at 34671.5 cm-1 above X 1Σ, v'=0, J"=0. |
| 3 | -0.005(v+1/2)2 - 0.001(v+1/2)3, v=0...3 Stwalley, Way, et al., 1974. |
| 4 | H0 = -2.5E-6; H1 = -5.3E-6; H2 = -16.5E-6. |
| 5 | Extrapolated from the observed ΔG(v+1/2) values for v=1...18. The ΔG curve has a maximum at v = 13. we ~ 181.9; wexe ~ -13.4, weye ~ -1.03, ... |
| 6 | Extrapolated from observations for v=1. .17; Hv values were also determined. The Bv curve goes through a maximum at v=4. Be ~ 1.6054, αe ~ -0.0152, γe ~ -0.00211,... |
| 7 | RKR potential curves Fallon, Vanderslice, et al., 1960, Singh and Jain, 1962. |
| 8 | +0.03923(v+1/2)3 + 0.003253(v+1/2)4 - 0.0001489(v+1/2)5; the vibrational and rotational constants (except Dv, Hv) are derived from A→X fluorescence series extending to v" = 20, i.e. 82% of the dissociation energy Ennen and Ottinger, 1975; the more accurate data for low v" from Crawford and Jorgensen, 1935 are also included, but not the microwave data of Pearson and Gordy, 1969. |
| 9 | RKR potential curve Ennen and Ottinger, 1975. |
| 10 | -0.00663E-3(v+1/2) + 0.000575E-3(v+1/2)2; Hv = [2.118 - 0.105(v+1/2)]E-8 Crawford and Jorgensen, 1935. |
| 11 | Rotation spectrum |
| 12 | μel(v=0) = 5.8677 D Wharton, Gold, et al., 1962, Rothstein, 1969. Hfs constants Wharton, Gold, et al., 1962, Rothstein, 1969, Freeman, Jacobson, et al., 1975. gJ(v=0,J=1) = -0.27674 μN from the Zeeman splitting Freeman, Jacobson, et al., 1975; a less precise value was earlier obtained Lawrence, Anderson, et al., 1963 by the magnetic resonance method. See also Docken and Freeman, 1974. |
| 13 | From the predissociation in B 1Π Stwalley, Way, et al., 1974. A thermochemical value (mass- spectrometric) of 2.49 eV was determined by Ihle and Wu, 1975. |
| 14 | Electron impact appearance potential Ihle and Wu, 1975. |
| 15 | +0.00287(v+1/2)2 - 0.0001096(v+1/2)3; see 8. From the millimeter wave spectrum Pearson and Gordy, 1969, obtain Y01 = 4.233107 and Y11 = -0.091550 (v=0,1 only). |
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.
Sarkas, Hendricks, et al., 1994
Sarkas, H.W.; Hendricks, J.H.; Arnold, S.T.; Bowen, K.H.,
Photoelectron Spectroscopy of Lithium Hydride Anion,
J. Chem. Phys., 1994, 100, 3, 1884, https://doi.org/10.1063/1.466540
. [all data]
Ihle and Wu, 1975
Ihle, H.R.; Wu, C.H.,
Mass spectrometric determination of the ionization potential and dissociation energy of LiD,
J. Chem. Phys., 1975, 63, 1605. [all data]
Velasco, 1957
Velasco, R.,
Ultraviolet spectra of LiH and LiD,
Can. J. Phys., 1957, 35, 1204. [all data]
Stwalley, Way, et al., 1974
Stwalley, W.C.; Way, K.R.; Velasco, R.,
Dissociation energies of 7LiD,
J. Chem. Phys., 1974, 60, 3611. [all data]
Crawford and Jorgensen, 1935
Crawford, F.H.; Jorgensen, T., Jr.,
The band spectra of the hydrides of lithium. Part I: Li(7)D,
Phys. Rev., 1935, 47, 358. [all data]
Ennen and Ottinger, 1975
Ennen, G.; Ottinger, Ch.,
Laser-fluorescence measurement of the 7LiD (X1Σ+) potential up to high vibrational quantum numbers,
Chem. Phys. Lett., 1975, 36, 16. [all data]
Pearson and Gordy, 1969
Pearson, E.F.; Gordy, W.,
Millimeter-wave spectra and molecular constants of 6LiD and 7LiD,
Phys. Rev., 1969, 177, 1, 59-61. [all data]
Wharton, Gold, et al., 1962
Wharton, L.; Gold, L.P.; Klemperer, W.,
Preliminary values of some molecular constants of lithium hydride,
J. Chem. Phys., 1962, 37, 2149. [all data]
Rothstein, 1969
Rothstein, E.,
Molecular constants of lithium hydrides by the molecular-beam electric resonance method,
J. Chem. Phys., 1969, 50, 1899. [all data]
Freeman, Jacobson, et al., 1975
Freeman, R.R.; Jacobson, A.R.; Johnson, D.W.; Ramsey, N.F.,
The molecular Zeeman and hyperfine spectra of LiH and LiD by molecular beam high resolution electric resonance,
J. Chem. Phys., 1975, 63, 2597. [all data]
Lawrence, Anderson, et al., 1963
Lawrence, T.R.; Anderson, C.H.; Ramsey, N.F.,
Rotational magnetic moments of lithium hydride and deuteride,
Phys. Rev., 1963, 130, 1865. [all data]
Fallon, Vanderslice, et al., 1960
Fallon, R.J.; Vanderslice, J.T.; Mason, E.A.,
Erratum: Potential curves for HF and LiH,
J. Chem. Phys., 1960, 33, 944. [all data]
Singh and Jain, 1962
Singh, N.L.; Jain, D.C.,
The true potential energy curves of A1Σ+ state of Li7H2, B3Σu- state of O2, and A3Πg state of C2,
Can. J. Phys., 1962, 40, 520. [all data]
Docken and Freeman, 1974
Docken, K.K.; Freeman, R.R.,
Some molecular properties of LiH and LiD,
J. Chem. Phys., 1974, 61, 4217. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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