FSGO calculations of octahydrotriborate anion and tetraborane |
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| Authors: | Jozef Bicerano Arthur A. Frost |
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| Affiliation: | (1) Department of Chemistry, Northwestern University, Evanston, Illinois, USA |
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| Abstract: | The FSGO quantum mechanical model is used to makeab initio calculations of the geometrical structures and energies of the ground state configurations of the octahydrotriborate anion, B3H 8 − , and tetraborane, B4H10. Both molecules are assumed to belong to theC 2v symmetry point group during these computations. Comparisons with available experimental data show good agreement. B4H10 calculations are also compared with results of SCF calculations. |
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| Keywords: | Octahydrotriborate anion Tetraborane Floating spherical gaussian orbital (FSGO) model |
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