A Comparative Study on the Thermodynamics of Halogen Bonding of Group?10 Pincer Fluoride Complexes.

ABSTRACT: The thermodynamics of halogen bonding of a series of isostructural Group?10 metal pincer fluoride complexes of the type [(3,5-R₂ -^tBu POCOP^tBu )MF] (3,5-R₂ -^tBu POCOP^tBu =?³ -C₆ HR₂ -2,6-(OPtBu₂ )₂ with R=H, tBu, COOMe; M=Ni, Pd, Pt) and iodopentafluorobenzene was investigated. Based on NMR experiments at different temperatures, all complexes?1-tBu (R=tBu, M=Ni), 2-H (R=H, M=Pd), 2-tBu (R=tBu, M=Pd), 2-COOMe (R=COOMe, M=Pd) and 3-tBu (R=tBu, M=Pt) form strong halogen bonds with Pd complexes showing significantly stronger binding to iodopentafluorobenzene. Structural and computational analysis of a model adduct of complex?2-tBu with 1,4-diiodotetrafluorobenzene as well as of structures of iodopentafluorobenzene in toluene solution shows that formation of a type?I contact occurs.

SUBMITTER: Joksch M 

PROVIDER: S-EPMC7154528 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature