Theoretical determination of the magnetic properties of diatomic AlH
β Scribed by E.A. Laws; R.M. Stevens; W.N. Lipscomb
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 251 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The magnetic susceptibility and nuclear magnetic shielding in diatomic AlH are calculated using the coupled Ifartree-Fock theory. Because of the similarity in the ground state electronic structure of AH3 and BH. experimental verification of the susceptibility of AlH to within a few ppm would be a strong indication that BH is paramagnetic. as previously predicted.
π SIMILAR VOLUMES
The dipole and quadntpole polarlzabilities of AlH are calculated with a large and property-adapted basis set of Gaussian functions by using the fourth-order MBPT approach. The results obtained at the experimental equilibrium value of the AlH bond distance,R,=3.114au, are ((u,),=43.86 au, ((r,,),=49.