Abstract
An analysis of the [M(bpy)3]n+ (bpy = 2,2′-bipyridine) complexes with halide counterions in the Cambridge Structural Database reveals a common structural motif in two thirds of the compounds. This interaction involves the formation of 12 short C–H…X contacts between halide ions lying within sheets of the cations and H-3 and H-3′ of six [M(bpy)3]n+ complex cations. A second motif, also involving 12 short contacts, but with H-6 and H-5, is identified between halide ions lying between sheets of the [M(bpy)3]n+ cations.
Highlights
The established crystallographic databases, including the Inorganic Crystal Structure Database [1], the NIST Inorganic Crystal Structure Database [2], the Protein Data Bank [3,4,5] and the CambridgeStructural Database (CSD) [6,7], have created unprecedented opportunities for data mining and investigating the intramolecular, intermolecular and supramolecular interactions, which are important in determining the spatial arrangement, orientation and packing of molecules and ions in crystal lattices
The opportunities presented for the probing and understanding of the intimate details of crystal packing sometimes result in losing the relationship with general chemical properties and reactivity
The field of crystal engineering has emerged predicated upon the importance of weak interactions, including π-π and C–H-π interactions, as well as halide, pnictide and tetrel bonds in the solid state
Summary
The established crystallographic databases, including the Inorganic Crystal Structure Database [1], the NIST Inorganic Crystal Structure Database [2], the Protein Data Bank [3,4,5] and the Cambridge. A few years ago we noticed dramatic variations in the performance of (apparently) chemically similar batches of [Ir(bpy)(ppy)2 ](PF6 ) (Hppy = 2-phenylpyridine, bpy = 2,20 -bipyridine) in light-emitting electrochemical cells [10] This was shown to be due to the carrying through of small amounts of chloride ions from the synthesis and was demonstrated as a significant solution interaction by 1 H NMR spectroscopic titrations of solutions of [Ir(bpy)(ppy)2 ](PF6 ) with [n Bu4 N]Cl. A solid state structural determination of the compound [Ir(bpy)(ppy)2 ]Cl·2CH2 Cl2 ·[H3 O]·Cl revealed a chloride ion lying close to H-3 and H-30 of the bpy ligand 1.089 Å) and the H...Cl distances are 2.674 and 2.739 Å; (b) the generic representation of the bifurcated hydrogen bond to H-3 and H-30 of a 2,20 -bipyridine ligand.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
