Structure and stereodynamics of [M(CO)5{P(C6H4Me-o)3}](M = Cr, Mo or W) and [Cr(CO)3{P(C6H4Me-o)3}]

Autor:	Michael G. Palin, Patrick McArdle, Zeev Goldschmidt, Paul C. Yates, Desmond Cunningham, James A. S. Howell, Hugo E. Gottlieb, Daphna Hezroni-Langerman
Rok vydání:	1993
Předmět:	NMR spectra database Crystallography chemistry.chemical_compound Stereochemistry Chemistry Ligand Carbon-13 Phosphorus-31 NMR spectroscopy General Chemistry Nuclear magnetic resonance spectroscopy Crystal structure Phosphine Monoclinic crystal system
Zdroj:	Journal of the Chemical Society, Dalton Transactions. :2775
ISSN:	1364-5447 0300-9246
DOI:	10.1039/dt9930002775
Popis:	The crystal structure of [Cr(CO)5{P(C6H4Me-o)3}] 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(CO)5{P(C6H4Me-o)3}](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 [Cr(CO)5{P(C6H4Me-o)3}]. The crystal structure of the π complex [Cr(CO)3{P(C6H4Me-o)}3] is most consistent with an electron-acceptor character for the P(C6H4Me-o)2 substituent. Crystal data: [Cr(CO)5{P(C6H4Me-o)3}], monoclinic, space group P21/n, a= 10.774(2), b= 14.951(5), c= 14.687(7)A, β= 91.45(2)°, Z= 4, R′= 0.0980 for 209 variable parameters and 2326 observed reflections; [Cr(CO)3{P(C6H4Me-o)3}], monoclinic, space group P21/a, a= 16.725(2), b= 7.340(1), c= 17.675(4), β= 92.66(2)°, Z= 4, R′= 0.1187 for 263 variable parameters and 1848 observed reflections.
Databáze:	OpenAIRE
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