A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, and Department of Physics, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061, USA
Funder
National Science Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5026637
Reference55 articles.
1. Conceptual Approach to the Reactivity of Dihydrogen
2. Hydrogen Storage in Microporous Metal-Organic Frameworks
3. Interaction of hydrogen with accessible metal sites in the metal–organic frameworks M2(dhtp) (CPO-27-M; M = Ni, Co, Mg)
4. Hydrogen storage in metal–organic frameworks
5. Impact of Metal and Anion Substitutions on the Hydrogen Storage Properties of M-BTT Metal–Organic Frameworks
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2. Quantum Dynamical Investigation of Dihydrogen–Hydride Exchange in a Transition-Metal Polyhydride Complex;The Journal of Physical Chemistry A;2023-07-26
3. Dihydrogen attachment and dissociation reactions in Fe(H)2(H2)(PEtPh2)3: a DFT potential-energy scan;Theoretical Chemistry Accounts;2022-02-27
4. On the energetics of binding and hydride exchange in the RuH2(H2)2[P(C5H9)3)]2 complex as revealed by inelastic neutron scattering and DFT studies;New Journal of Chemistry;2022
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