Stepwise substitution reactions of the (η5-C5Me5) Re(CO) 2I2 complex: Aryl-iodo and aryl-methyl derivatives trans-(η5-C5Me5) Re(CO) 2(Ar) X, X = I and Me. X-ray structure of trans-(η5-C5Me5) Re(CO) 2(Ph) I

Article abstract of DOI:10.1016/S0022-328X(96)06767-8

The diiodo complex cis-(η⁵-C₅Me₅)Re(CO)₂I₂ undergoes monosubstitution in reaction with arylcopper (ArCu) to produce the corresponding aryl-iodo complexes trans-(η⁵-C₅Me₅)Re(CO)₂(Ar)I, Ar = phenyl and tolyl. These complexes have been fully characterized by using a combination of elemental analyses and IR, ¹H and ¹³C NMR spectroscopy; additionally trans-(η⁵-C₅Me₅)Re(CO)₂(Ph)I was studied by X-ray crystallography. This complex crystallizes in the monoclinic space group P 2₁/m with a = 8.091(2), b = 17.471(4), c= 12.995(3) A, β = 93.97(2)°, V= 1832.6(7) A³ and D_calc = 2.107 gcm^-3 for Z = 4. The refined structure gave R = 2.74% and wR = 2.98% for 2858 observed reflections. Further reaction of the aryl-iodo complexes with MeLi yields the corresponding aryl-methyl derivatives trans-(η⁵-C₅Me₅)Re(CO)₂(Ar)Me. The full spectroscopic characterization of these complexes is also described in this paper.