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CH···anion bonds that template zinc molecular knots
Weak C–H···anion contacts in water/methanol steer a Zn(II) dynamic library toward a trefoil knot that binds two bromides in its cavity.
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What noncovalent interaction templates these Zn topologies?
Weak CH···anion interactions in MeOD/D2O mixtures.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
What sits in the trefoil-knot cavity in the crystal?
Two bromide anions with multiple CH hydrogen bonds.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
Which C–H donors contact bromide?
Bipyridinyl units.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
Does TK6+ still bind anions in D2O?
Yes: it preserved its anion binding properties in D2O.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
What dipole does DFT predict along C3?
2.77 D in the gas phase and 4.97 D in water (B3LYP/6-31G(d)).
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
How large is the TK6+ cavity?
~130 Å3, fitting two anions with radius ≤2.5 Å.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
What ligand pair builds the dynamic library?
Diformylpyridine (DFP) and a diamino-2,2′-bipyridine (DAB).
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
Which three topologies form together?
[2]catenane, trefoil knot TK6+, and Solomon link SL8+.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
How was the [2]catenane characterized?
NMR, mass spectrometry, and X-ray crystallography.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
What space group did TK6+ crystals adopt?
Trigonal P-3 as a racemic mixture.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified
Did 1H-19F HOESY locate TFA in the cavity?
No indication of TFA fluorines near the organic framework.
Source: [C-H···anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal-organic structures in aqueous solutions · DOI · quote verified