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Aluminum 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 November, 1975

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 27AlH
c 3Pir     1      c rarrow a (R) (36950)
missing citation
b 3Sigma     [6.759] 2   [4.36E-4]  [1.6022] b rarrow a 26217 Z
Holst, 1933; Challacombe and Almy, 1937
a 3Pir a 3    [6.704]   [4E-4]  [1.6088]  
E 1Pi     [5.620] 4   [10.0E-4] 4  [1.7571] E rarrow A R 29512.2 Z
Holst, 1934; Lagerqvist, Lundh, et al., 1970
           E lrarrow X R 52982.9 Z
Nilsson, 1948; missing citation
D 1Sigma+     [6.56] 5   [6.1E-4]  [1.626] D lrarrow X VR 49288 Z
Bengtsson-Knave, 1932; Grabe and Hulthen, 1939; Nilsson, 1948; missing citation
C 1Sigma+ 44676 1575.3 6 125.5  6.664 7 0.544  [5.5E-4] 8  1.6136 C rarrow A V 21127.0 Z
Bengtsson and Hulthen, 1929; missing citation
           C lrarrow X RV 44597.9 Z
Grabe and Hulthen, 1939; Nilsson, 1948; missing citation
A 1Pi  [1082.76] Z 9  6.3869 10 9 11 0.7323  [6.200E-4] 12  1.648 A lrarrow X RV 23470.93
Farkas, 1931; Farkas and Levy, 1933; Holst and Hulthen, 1934; Holst, 1934, 2; Olsson, 1938; Nilsson, 1948; Kleman, Lagercrantz, et al., 1950; missing citation
X 1Sigma+ 15 0 1682.56 Z 29.09 0.239 6.3907 0.1858 0.00161 3.565E-4 -0.047E-4 1.6478  
Loginov, 1964; Huron, 1969


1v=0 perturbed.
2Perturbation at N=19, predissociation at N > 25.
3 Grimaldi, Lecourt, et al., 1966 estimate a ~12000 cm-1. A= +40.2.
4Constants for the f component. Large Lambda-type doubling. Deltavfe positive; J. W. C. Johns (see Lagerqvist, Lundh, et al., 1970) reports a new 1Sigma+ state just above E 1Pi. Predissociation for J>12 Holst, 1934, Lagerqvist, Lundh, et al., 1970.
5Perturbed at J=5, predissociated for J>10.
6From Delta G(1/2) of the hydride and deuteride.
8missing note
9Predissociation by rotation in v=0, 1 (AlH) and v=0, 1, 2 (AlD); this state has a potential maximum Herzberg and Mundie, 1940 of ~ 0.15 eV Hurley, 1961.
10Lambda -type doubling, Deltavef(v=0)= +0.0097 J(J+1)-...
11Zeeman effect Klynning and Neuhaus, 1965.
12D1 = 11.20E-4; also higher order constants Zeeman and Ritter, 1954.
13From the predissociation in A 1Pi Olsson, 1938, Herzberg and Mundie, 1940. The most recent theoretical calculations for AlH Meyer and Rosmus, 1975 recommend 3.05 eV.
14D1 = 10E-4.
15For theoretical calculations concerning the ground state of AlH see Cade and Huo, 1967, Cade, Bader, et al., 1969, Laws, Stevens, et al., 1971, Meyer and Rosmus, 1975.
160< A< 12.
17v=0 perturbed. v=1 (B1=2.938, D1=3E-5) predissociated at N~l6 and perturbed in 3Pi0.
18Constants for the f component. The e component interacts with G 1Sigma+.
19Approximate deperturbed value; interaction with the e component of E 1Pi.
20Lambda-type doubling, Deltavef = +0.0020J(J+1).
21D1 = 2.21E-4; D2 = 6.96E-4.


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

Holst, 1933
Holst, W., Uber ein triplettbandenspektrum von aluminiumhydrid, Z. Phys., 1933, 86, 338. [all data]

Challacombe and Almy, 1937
Challacombe, C.N.; Almy, G.M., On the analysis of molecular 3«PI» states with application to AlH, OH+, and BH, Phys. Rev., 1937, 51, 930. [all data]

Holst, 1934
Holst, W., Uber ein neues bandenspektrum von aluminiumhydrid, Z. Phys., 1934, 90, 728. [all data]

Lagerqvist, Lundh, et al., 1970
Lagerqvist, A.; Lundh, L.E.; Neuhaus, H., A grating order sorter for separation of high orders in a 5 m Fastie vacuum spectrograph, Phys. Scr., 1970, 1, 261. [all data]

Nilsson, 1948
Nilsson, Dissertation, Stockholm, 1948, 0. [all data]

Bengtsson-Knave, 1932
Bengtsson-Knave, E., Uber die bandenspektren einiger metallhydride, Nova Acta Regiae Soc. Sci. Ups., 1932, 8, 4, 1-98. [all data]

Grabe and Hulthen, 1939
Grabe, B.; Hulthen, E., Pradissoziationserscheinungen im spektrum des aluminiumhydrides, Z. Phys., 1939, 114, 470. [all data]

Bengtsson and Hulthen, 1929
Bengtsson, E.; Hulthen, E., Uber eine experimentelle prufung der kombinationsregeln unter der bandenspektren, Z. Phys., 1929, 52, 275. [all data]

Farkas, 1931
Farkas, L., Uber das absorptionsspektrum des aluminiumhydrids, Z. Phys., 1931, 70, 733. [all data]

Farkas and Levy, 1933
Farkas, L.; Levy, S., Messung der intensitatsverteilung und breite von pradissoziierenden linien des AlH-molekuls, Z. Phys., 1933, 84, 195. [all data]

Holst and Hulthen, 1934
Holst, W.; Hulthen, E., Eine untersuchung uber die bandenspektra des aluminiumhydrides und aluminiumdeutrides, Z. Phys., 1934, 90, 712. [all data]

Holst, 1934, 2
Holst, W., Uber ein neues 1«SIGMA»*** --> 1«PI»-system des aluminiumhydrids, Z. Phys., 1934, 90, 735. [all data]

Olsson, 1938
Olsson, Dissertation, Stockholm, 1938, 0. [all data]

Kleman, Lagercrantz, et al., 1950
Kleman, B.; Lagercrantz, A.; Uhler, U., The presumed 1«SIGMA»--term in AlH, Ark. Fys., 1950, 2, 359. [all data]

Loginov, 1964
Loginov, V.A., The production of electronic band spectra by the exploding wire method, Opt. Spectrosc. Engl. Transl., 1964, 16, 220, In original 402. [all data]

Huron, 1969
Huron, B., Etude de la distribution d'intensite dans le spectre d'absorption du systeme X1«SIGMA»-A1«PI» de l'hydrure d'aluminium, Physica (Amsterdam), 1969, 41, 58. [all data]

Grimaldi, Lecourt, et al., 1966
Grimaldi, F.; Lecourt, A.; Lefebvre-Brion, H.; Moser, C.M., Calculation of Rydberg levels of BH and AlH, J. Mol. Spectrosc., 1966, 20, 341. [all data]

Herzberg and Mundie, 1940
Herzberg, G.; Mundie, L.G., On the predissociation of several diatomic molecules, J. Chem. Phys., 1940, 8, 263. [all data]

Hurley, 1961
Hurley, A.C., Electronic structure of the first row hydrides. III. Predissociation by rotation in the A1«PI» state and the dissociation energy of BH, Proc. R. Soc. London A, 1961, 261, 237. [all data]

Klynning and Neuhaus, 1965
Klynning, L.; Neuhaus, H., Uber den Zeeman-Effeckt des AlH-Spektrums, Ark. Fys., 1965, 28, 249. [all data]

Zeeman and Ritter, 1954
Zeeman, P.B.; Ritter, G.J., New measurements on the A1«PI» = X1«SIGMA» band system of AlH, Can. J. Phys., 1954, 32, 555. [all data]

Meyer and Rosmus, 1975
Meyer, W.; Rosmus, P., PNO-Cl and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides, J. Chem. Phys., 1975, 63, 2356. [all data]

Cade and Huo, 1967
Cade, P.E.; Huo, W.M., Electronic structure of diatomic molecules. VII.A. Hartree-Fock wavefunctions and energy quantities for the ground states of the second-row hydrides, AH, J. Chem. Phys., 1967, 47, 649. [all data]

Cade, Bader, et al., 1969
Cade, P.E.; Bader, R.F.W.; Henneker, W.H.; Keaveny, I., Molecular charge distributions and chemical binding. IV. The second-row diatomic hydrides AH, J. Chem. Phys., 1969, 50, 5313. [all data]

Laws, Stevens, et al., 1971
Laws, E.A.; Stevens, R.M.; Lipscomb, W.N., Magnetic properties of A1H and N2 from coupled Hartree-Fock theory, J. Chem. Phys., 1971, 54, 4269. [all data]


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