Open AccessFormation of a σ-alkane Complex and a Molecular Rearrangement in the Solid-State: [Rh(Cyp2PCH2CH2PCyp2)(η2:η2-C7H12)][BArF4]
Author(s) -
Alasdair I. McKay,
Tobias Krämer,
Nicholas H. Rees,
Amber L. Thompson,
Kirsten E. Christensen,
Stuart A. Macgregor,
Andrew S. Weller
Publication year - 2016
Publication title -
organometallics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.231
H-Index - 172
eISSN - 1520-6041
pISSN - 0276-7333
DOI - 10.1021/acs.organomet.6b00645
Subject(s) - chemistry , alkane , crystallography , solid state , single crystal , rhodium , crystal (programming language) , stereochemistry , crystal structure , spectroscopy , x ray crystallography , molecule , catalysis , organic chemistry , diffraction , optics , quantum mechanics , computer science , programming language , physics
Addition of H2 to the precursor [Rh(Cyp2P(CH2)2PCyp2)(η2 :η2 -C7H8)][BArF 4] gives the σ-alkane complex [Rh(Cyp2P(CH2)2PCyp2)(η2 :η2 -C7H12)][BArF 4] by a single-crystal to single–crystal reaction, as characterized by X-ray crystallography, SSNMR spectroscopy and periodic DFT. An unexpected rearrangement of the {Rh(L2)}+ fragment is revealed
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