Isocyanide derivatives of manganese cobalt nonacarbonyl: synthesis and characterization

The synthesis and spectral characterization of isocyanide derivatives of MnCo(CO)(9) of the type MnCo(CO)(9-n)(CNR)(n) (n = 1,2; R = (p-MeOC6H4)NC, (2,6-xylyl)NC, (t-butyl)NC, (n-butyl)NC, (2,6-diisopropylphenyl)NC) are reported. The X-ray structure of MnCo(Co)(8)((2,6-xylyl)NC) (1) and MnCo(CO)(7)((2,6-xylyl)NC)(2) (2) are reported herein as well. The structures of 1 and 2 contain a single metal-metal bond and no bridging ligands. The length of the Mn-Co bond is 2.870(1) and 2.9035(7) Angstrom in 1 and 2, respectively. The IR spectra of Mn(CO)(5)Br, Mn-2(CO)(10), MnCo(CO)(9) and MnCo(CO)(9-n)(CNR)(n) (n = 1,2; R = CH3) were calculated using density functional theory. The calculated IR spectra were employed to assign the structure of the MnCo(CO)(9-n)- (CNR)(n) (n = 1,2) compounds. (C) 1999 Elsevier Science S.A. All rights reserved.