Inverse Isotope Effects in Single-Crystal to Single-Crystal Reactivity and the Isolation of a Rhodium Cyclooctane σ-Alkane Complex

Title	Inverse Isotope Effects in Single-Crystal to Single-Crystal Reactivity and the Isolation of a Rhodium Cyclooctane σ-Alkane Complex
Authors	Laurence R. Doyle, Martin R. Galpin, Samantha K. Furfari, Bengt E. Tegner, Antonio J. Martínez-Martínez, Adrian C. Whitwood, Scott A. Hicks, Guy C. Lloyd-Jones, Stuart A. Macgregor, Andrew S. Weller
Magazine	Organometallics
Date	01/27/2022
DOI	10.1021/acs.organomet.1c00639
Introduction	The study investigates the sequential solid/gas single-crystal to single-crystal reaction of a rhodium complex with hydrogen and deuterium, monitored by solid-state NMR and GC-MS. Using a two-step JMAK model, an inverse isotope effect is observed during the second hydrogen addition, forming a σ-alkane complex. DFT calculations support a η2,η2-binding mode to the Rh(I) centre, with extensive H/D exchange promoted by the solid-state microenvironment.
Quote	Laurence R. Doyle, Martin R. Galpin and Samantha K. Furfari et al. Inverse Isotope Effects in Single-Crystal to Single-Crystal Reactivity and the Isolation of a Rhodium Cyclooctane σ-Alkane Complex. Organometallics. 2022. Vol. 41(3):284-292. DOI: 10.1021/acs.organomet.1c00639
Element	Hydrogen (H) , Rhodium (Rh) , Phosphorus (P) , Fluorine (F)
Materials	Chemical Compounds
Topics	Catalytic Materials , Heterogeneous Catalysts
Industry	Research & Laboratory , Chemical & Pharmacy

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