Ligand Exchange Reactions in Molecular Hydrogen Complexes of Osmium(II): A Quantum Chemical Study Using Density Functional Theory
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (36) , 14899-14903
- https://doi.org/10.1021/jp9608584
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Quantum Chemical Study of the Properties of Molecular Hydrogen Complexes of Osmium(II): A Comparison of Density Functional and Conventionalab InitioMethodsThe Journal of Physical Chemistry, 1996
- Stretched Molecular Hydrogen Complexes of Osmium(II): A Quantum Chemical Study of the Influence of the Trans Ligand on Geometries, Spin-Spin Coupling Constants, Bonding, and Charge DistributionsJournal of the American Chemical Society, 1994
- A general purpose exchange-correlation energy functionalThe Journal of Chemical Physics, 1993
- Near doubling of hydrogen-hydrogen bond length in the "stretched" osmium molecular hydrogen complex [Os(NH3)4OAc(.eta.2-H2)]+: a theoretical studyInorganic Chemistry, 1993
- The performance of a family of density functional methodsThe Journal of Chemical Physics, 1993
- Use of a Dihydrogen Osmium Complex as a Versatile 1 H NMR Recognition ProbeScience, 1992
- Modulation of physical and chemical properties of .eta.-H2 complexes of osmium ammines by facile substitutionJournal of the American Chemical Society, 1991
- Isostructural .eta.2-dihydrogen complexes [Os(NH3)5(H2)]n+ (n = 2, 3) and the hydrogenation of acetoneJournal of the American Chemical Society, 1990
- Energy-adjustedab initio pseudopotentials for the second and third row transition elementsTheoretical Chemistry Accounts, 1990
- Ionization potentials and electron affinities in aqueous solutionJournal of the American Chemical Society, 1986