Conclusions We have performed the first systematic study of a triad of PCPPdX (X = Cl, Br, I) halogen bonding complexes with typical XB donors. The complete set was obtained for I 2 giving linear Pd–X···I units showing a clear trend toward a strong electrostatic component in the halogen bond, despite the electron-rich metal center resulting in XB strength Cl > Br > I.
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Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).
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