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lithium (2H)hydride

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 7LiD
B 1Pi 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 larrow X R 34466.27 Z
Velasco, 1957; Stwalley, Way, et al., 1974
A 1Sigma+ 26513 [205.6] 5   [1.6125] 6 7   [0.3508E-3] 6  2.590 A lrarrow X R 26082.8 Z
Crawford and Jorgensen, 1935; Ennen and Ottinger, 1975
X 1Sigma+ 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


1(v = 0...3) Stwalley, Way, et al., 1974.
2All 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 1Sigma, 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.
4H0 = -2.5E-6; H1 = -5.3E-6; H2 = -16.5E-6.
5Extrapolated from the observed DeltaG(v+1/2) values for v=1...18. The DeltaG curve has a maximum at v = 13. we ~ 181.9; wexe ~ -13.4, weye ~ -1.03, ...
6Extrapolated from observations for v=1. .17; Hv values were also determined. The Bv curve goes through a maximum at v=4. Be ~ 1.6054, alphae ~ -0.0152, gammae ~ -0.00211,...
7RKR 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 ArarrowX 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.
9RKR 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.
11Rotation spectrum
12muel(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 muN 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.
13From the predissociation in B 1Pi Stwalley, Way, et al., 1974. A thermochemical value (mass- spectrometric) of 2.49 eV was determined by Ihle and Wu, 1975.
14Electron 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).


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

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 (X1«SIGMA»+) 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 A1«SIGMA»+ state of Li7H2, B3«SIGMA»u- state of O2, and A3«PI»g 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]

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]


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