Aluminum hydride
- Formula: AlH
- Molecular weight: 27.98948
- IUPAC Standard InChI: InChI=1S/Al.H
- IUPAC Standard InChIKey: SPRIOUNJHPCKPV-UHFFFAOYSA-N
- CAS Registry Number: 13967-22-1
- Chemical structure:
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Constants of diatomic molecules
Go To: Top, 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 November, 1975
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| c 3Πr | 1 | c → a (R) | (36950) | |||||||||
| ↳missing citation | ||||||||||||
| b 3Σ | [6.759] 2 | [4.36E-4] | [1.6022] | b → a | 26217 Z | |||||||
| ↳Holst, 1933; Challacombe and Almy, 1937 | ||||||||||||
| a 3Πr | a 3 | [6.704] | [4E-4] | [1.6088] | ||||||||
| E 1Π | [5.620] 4 | [10.0E-4] 4 | [1.7571] | E → A R | 29512.2 Z | |||||||
| ↳Holst, 1934; Lagerqvist, Lundh, et al., 1970 | ||||||||||||
| E ↔ X R | 52982.9 Z | |||||||||||
| ↳Nilsson, 1948; missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| D 1Σ+ | [6.56] 5 | [6.1E-4] | [1.626] | D ↔ X VR | 49288 Z | |||||||
| ↳Bengtsson-Knave, 1932; Grabe and Hulthen, 1939; Nilsson, 1948; missing citation | ||||||||||||
| C 1Σ+ | 44676 | 1575.3 6 | 125.5 | 6.664 7 | 0.544 | [5.5E-4] 8 | 1.6136 | C → A V | 21127.0 Z | |||
| ↳Bengtsson and Hulthen, 1929; missing citation | ||||||||||||
| C ↔ X RV | 44597.9 Z | |||||||||||
| ↳Grabe and Hulthen, 1939; Nilsson, 1948; missing citation | ||||||||||||
| A 1Π | [1082.76] Z | 9 | 6.3869 10 9 11 | 0.7323 | [6.200E-4] 12 | 1.648 | A ↔ 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 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 1Σ+ 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 | ||||||||||||
Notes
| 1 | v=0 perturbed. |
| 2 | Perturbation at N=19, predissociation at N > 25. |
| 3 | Grimaldi, Lecourt, et al., 1966 estimate a ~12000 cm-1. A= +40.2. |
| 4 | Constants for the f component. Large Λ-type doubling. Δvfe positive; J. W. C. Johns (see Lagerqvist, Lundh, et al., 1970) reports a new 1Σ+ state just above E 1Π. Predissociation for J>12 Holst, 1934, Lagerqvist, Lundh, et al., 1970. |
| 5 | Perturbed at J=5, predissociated for J>10. |
| 6 | From Δ G(1/2) of the hydride and deuteride. |
| 7 | Perturbations. |
| 8 | missing note |
| 9 | Predissociation 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. |
| 10 | Λ -type doubling, Δvef(v=0)= +0.0097 J(J+1)-... |
| 11 | Zeeman effect Klynning and Neuhaus, 1965. |
| 12 | D1 = 11.20E-4; also higher order constants Zeeman and Ritter, 1954. |
| 13 | From the predissociation in A 1Π Olsson, 1938, Herzberg and Mundie, 1940. The most recent theoretical calculations for AlH Meyer and Rosmus, 1975 recommend 3.05 eV. |
| 14 | D1 = 10E-4. |
| 15 | For 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. |
| 16 | 0< A< 12. |
| 17 | v=0 perturbed. v=1 (B1=2.938, D1=3E-5) predissociated at N~l6 and perturbed in 3Π0. |
| 18 | Constants for the f component. The e component interacts with G 1Σ+. |
| 19 | Approximate deperturbed value; interaction with the e component of E 1Π. |
| 20 | Λ-type doubling, Δvef = +0.0020J(J+1). |
| 21 | D1 = 2.21E-4; D2 = 6.96E-4. |
References
Go To: Top, 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.
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 3Π 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 1Σ*** → 1Π-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 1Σ--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 X1Σ-A1Π 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 A1Π 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 A1Π = X1Σ 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]
Notes
Go To: Top, Constants of diatomic molecules, References
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