Stabilizing Halogen-Bonded Complex between Metallic Anion and Iodide.

ABSTRACT: Halogen bonds (XBs) between metal anions and halides have seldom been reported because metal anions are reactive for XB donors. The pyramidal-shaped Mn(CO)₅^- anion is a candidate metallic XB acceptor with a ligand-protected metal core that maintains the negative charge and an open site to accept XB donors. Herein, Mn(CO)₅^- is prepared by electrospray ionization, and its reaction with CH₃I in gas phase is studied using mass spectrometry and density functional theory (DFT) calculation. The product observed experimentally at m/z = 337 is assigned as [IMn(CO)₄(OCCH₃)]^-, which is formed by successive nucleophilic substitution and reductive elimination, instead of the halogen-bonded complex (XC) CH₃

SUBMITTER: Ying F 

PROVIDER: S-EPMC9692347 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature