The Isocyanide Complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd, Pt; X = Cl, Br) as Tectons in Crystal Engineering Involving Halogen Bonds
نویسندگان
چکیده
The isocyanide complexes cis-[MCl2(CNC6H4-4-X)2] (M = Pd; X Cl, Br; M Pt; Br) form isomorphous crystal structures exhibiting the Cl/Br and Pd/Pt exchanges featuring 1D chains upon crystallisation. Crystal packing is supported by C–X···X–C halogen bonds (HaBs), C–H···X–C hydrogen (HB), X···M semicoordination, C···C contacts between C atoms of aryl ligands. results DFT calculations topological analysis indicate that all above contact types belong to attractive noncovalent interactions. A projection electron localization function (ELF) an inspection density (ED) electrostatic potential (ESP) reveal amphiphilic nature playing role HaB donors, HB acceptors, a nucleophilic partner in semicoordination.
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ژورنال
عنوان ژورنال: Crystals
سال: 2021
ISSN: ['2073-4352']
DOI: https://doi.org/10.3390/cryst11070799