Quantum Dynamical Investigation of Dihydrogen–Hydride Exchange in a Transition-Metal Polyhydride Complex-Reference-Cited by-同舟云学术

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Quantum Dynamical Investigation of Dihydrogen–Hydride Exchange in a Transition-Metal Polyhydride Complex

Published:2023-07-26 Issue:31 Volume:127 Page:6385-6399
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Aarabi Mahdi¹,Sarka János¹²^ORCID,Pandey Ankit¹,Nieman Reed¹^ORCID,Aquino Adelia J. A.³^ORCID,Eckert Juergen¹⁴,Poirier Bill¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, United States

2. Institute of Chemistry, Eötvös Loránd University, H-1117 Budapest, Hungary

3. Department of Mechanical Engineering, Texas Tech University, Lubbock, Texas 79409-1061, United States

4. Theoretical Division (T-1, MS B221), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

Funder

Division of Chemistry

Welch Foundation

Nemzeti Kutat?si Fejleszt?si ?s Innov?ci?s Hivatal

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c01863

Reference60 articles.

1. Transition Metal Polyhydrides: From Qualitative Ideas to Reliable Computational Studies

2. An attractive cis-effect of hydride on neighbor ligands: experimental and theoretical studies on the structure and intramolecular rearrangements of Fe(H)2(.eta.2-H2)(PEtPh2)3

3. Fluxionality of Hydrogen Ligands in Fe(H)2(H2)(PEtPh2)3

4. Iron Cyclopentadienone Complexes: Discovery, Properties, and Catalytic Reactivity

5. Quantum mechanical exchange in a transition metal hydride complex: NMR data for [cp(PPh3)IrH3]+ fitted by a two-dimensional model

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