Unravelling strong temperature-dependence of JHD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H

Unravelling strong temperature-dependence of J_HD in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H–H bonds

Published:2023 Issue:43 Volume:14 Page:12308-12320
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Polukeev Alexey V.¹^ORCID,Capelli Silvia C.²,Wendt Ola F.¹^ORCID

Affiliation:

1. Centre for Analysis and Synthesis, Department of Chemistry, Lund University, PO Box 124, 22100 Lund, Sweden

2. ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell Science Campus, Didcot, OX11 0QX, UK

Abstract

Temperature-dependent JHD in (X–POCOP)IrH2 complexes is rationalized via equilibrium between “short” and “long” isomers, both characterized by neutron diffraction. The effects of specific and non-specific solvation on (X–POCOP)IrH2 are discussed.

Funder

Crafoordska Stiftelsen

Kungliga Fysiografiska Sällskapet i Lund

Lunds Universitet

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC04197B

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