TY - JOUR
T1 - Structure and stereodynamics of [m(CO)5{P(C6H 4Me-o)3}] (M = Cr, Mo or W) and [cr(CO) 3{P(C6H4Me-o)3}]
AU - Howell, James A.S.
AU - Yates, Paul C.
AU - Palin, Michael G.
AU - McArdle, Patrick
AU - Cunningham, Desmond
AU - Goldschmidt, Zeev
AU - Gottlieb, Hugo E.
AU - Hezroni-Langerman, Daphna
PY - 1993
Y1 - 1993
N2 - The crystal structure of [Cr(CO)5{P(C6H 4Me-o)3}] has been determined. It reveals an exo 2 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(C6H 4Me-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) Å, 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.
AB - The crystal structure of [Cr(CO)5{P(C6H 4Me-o)3}] has been determined. It reveals an exo 2 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(C6H 4Me-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) Å, 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.
UR - http://www.scopus.com/inward/record.url?scp=37049077225&partnerID=8YFLogxK
U2 - 10.1039/dt9930002775
DO - 10.1039/dt9930002775
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AN - SCOPUS:37049077225
SN - 1472-7773
SP - 2775
EP - 2780
JO - Journal of the Chemical Society. Dalton Transactions
JF - Journal of the Chemical Society. Dalton Transactions
IS - 18
ER -