The structure of trans-chloro(dinitrogen)bis(tri-isopropylphosphine)-rhodium(I): An X-ray study of the structure in the solid state and a nuclear magnetic resonance study of the structure in solution

David L. Thorn, Thomas H. Tulip, James A Ibers*

*Corresponding author for this work

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54 Scopus citations

Abstract

The crystal structure of [RhCl(N2)(PPri3)2] has been redetermined at -160 °C. In contrast to the results of a previous structure determination, we conclude that a scattering model in which the N2 ligand is end-on (η1) co-ordinated is fully consistent with the data. Such end-on co-ordination is confirmed in solution at +30 °C from the 31P and 15N n.m.r. spectra of a 15N2 labelled sample. The material crystallizes in the space group P21/c(C52h) of the monoclinic system in a cell of dimensions a = 8.062(2), b = 8.883(2), c = 16.431(4) Å, β = 92.45(1)°, Z = 2; the final R and R′ are 0.024 and 0.031, respectively, based on the full-matrix refinement of 124 variables and 3 597 observations. The 31P n.m.r. spectrum of the 15N2-labelled complex shows a doublet of doublets, JP - Rh 122.3 and Jp-15N 4.25 Hz, and proves the N2 co-ordination to be η1 in solution. The 15N n.m.r. spectrum of the labelled complex is also consistent with η1-co-ordination: J15N(1)-Rh 28, J15N(1)-15N(2) 4, J15N(1)-P 4, J15N(2)-Rh 4 Hz; δN(1) 269 and δN(2) 302 p.p.m.(downfield from external 15NH4+).

Original languageEnglish (US)
Pages (from-to)2022-2025
Number of pages4
JournalJournal of the Chemical Society, Dalton Transactions
Issue number12
DOIs
StatePublished - Dec 1 1979

ASJC Scopus subject areas

  • Chemistry(all)

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