Formation of, by termolecular reactions, and bond dissociation energy, structure, and bond length for OH-H2O and O-H2O
β Scribed by Melton, Charles E.
- Book ID
- 115528104
- Publisher
- American Chemical Society
- Year
- 1972
- Tongue
- English
- Weight
- 598 KB
- Volume
- 76
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The ability to use calculated OH frequencies to assign experimentally observed peaks in hydrogen bonded systems hinges on the accuracy of the calculation. Here we test the ability of several commonly employed model chemistriesβHF, MP2, and several density functionals paired with the 6β3
Hydrogen atom positions in leucophosphite K[Fe 2 (PO 4 ) 2 (OH)(H 2 O)] β’ H 2 O were elucidated by Rietveld refinement of a powder neutron scattering diffractogram. Crystal data: a β«Ψβ¬ 975.6(3), b β«Ψβ¬ 966.4(3), c β«Ψβ¬ 976.9(4) pm, β«Ψβ¬ 102.43(2)°°, R wp β«Ψβ¬ 0.084. This experiment proved that the Fe-at