Structure and Stereodynamics of > (M = Cr, Mo or W) and >

DOI: 10.1039/DT9930002775

Source and publish data:

Journal of the Chemical Society, Dalton Transactions p. 2775 - 2780 (1993)

Update date:2022-08-03

Topics:

Authors:

Howell, James A. S.

Yates, Paul C.

Palin, Michael G.

McArdle, Patrick

Cunningham, Desmond

et al. et al.

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Article abstract of DOI:10.1039/DT9930002775

The crystal structure of > has been determined.It reveals an exo₂ conformation for the phosphine ligand, in agreement with molecular mechanics calculations.Barriers to P-C rotation in the series > (M = Cr, Mo or W) are in the range 36-42 kJ mol^-1; restricted M-P rotation is also evident in the low-temperature 13CO NMR spectrum of >.The crystal structure of the ? complex 3> is most consistent with an electron-acceptor character for the P(C6H4Me-o)2 substituent.Crystal data: >, monoclinic, space group P2₁/n, a = 10.774(2), b = 14.951(5), c = 14.687(7) Angstroem, β = 91.45(2) deg, Z = 4, R' = 0.0980 for 209 variable parameters and 2326 observed reflections; >, monoclinic, space group P2₁/a, a = 16.725(2), b = 7.340(1), c = 17.675(4), β = 92.66(2) deg, Z = 4, R' = 0.1187 for 263 variable parameters and 1848 observed reflections.

Full text of DOI:10.1039/DT9930002775

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