DOI > 10.5291/ILL-DATA.5-12-332

This proposal is publicly available since 04/19/2023

Title

Organoactinide C-H agostic interactions

Abstract

Recently at the ILL we were able to collect neutron diffraction data on uranium tris(aryloxide) 1. The data which was collected in September 2016 is currently being processed however, short contacts between C-H bonds and the uranium centre are expected to be found. Following this very recent success, we propose to investigate weak C-H agostic interactions of simple organouranium complexes [{(DtbpO)2U}2(C6H6)] 2, U[ODbtp]3 3, U[N(SiMe3)2]3 4 and U[CH(SiMe3)2]3 5 which are in the lower oxidations states (+3/+4). In addition to neutron diffraction studies, we are also investigating the behaviour of these single crystalline solids at varying pressures at the University of Edinburgh in collaboration with Prof. Simon Parsons. Single crystal neutron diffraction of these compounds would allow the exact positions of the hydrogen atoms to be determined and thus identify potential C-H agostic interactions with the uranium centres.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

Polly L Arnold; Caņadillas-Delgado, L.; Connor J. V. Halliday; Tatsmi Ochiai and POETHIG Alexander. (2018). Organoactinide C-H agostic interactions. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-12-332

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Metadata

Experiment Parameters

  • Environment temperature

    100 K - 398 K

Sample Parameters

  • Formula

    • U[N(SiMe3)2]3
    • C90H138N2O6U2
    • C63H92O4U2