A [13]rotaxane assembled via a palladium molecular capsule

Ferrando-Soria, Jesús; Fernández, Antonio; Asthana, Deepak; Nawaz, Selina; Vitórica-Yrezábal, Iñigo J.; Whitehead, George F. S.; Muryn, Christopher A.; Tuna, Floriana; Timco, Grigore A.; Burton, Neil D.; Winpenny, Richard E. P.

doi:10.1038/s41467-019-11635-6

Cited by 25 publications

(41 citation statements)

References 68 publications

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“… 14 Hence, there seems to be relatively little variation in the {Cr 7 Ni} relaxation regardless of the complexity of the supramolecular structure (we have measured similar T m in a complex bearing 12 {Cr 7 Ni} rings). 10 …”

Section: Discussionmentioning

confidence: 99%

Conformational Flexibility of Hybrid [3]- and [4]-Rotaxanes

et al. 2020

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The synthesis, structures, and properties of [4]- and [3]-rotaxane complexes are reported where [2]-rotaxanes, formed from heterometallic {Cr 7 Ni} rings, are bound to a fluoride-centered {CrNi 2 } triangle. The compounds have been characterized by single-crystal X-ray diffraction and have the formulas [CrNi 2 (F)(O 2 C t Bu) 6 ]{( B H)[Cr 7 NiF 8 (O 2 C t Bu) 16 ]} 3 ( 3 ) and [CrNi 2 (F)(O 2 C t Bu) 6 (THF)]{( B H)[Cr 7 NiF 8 (O 2 C t Bu) 16 ]} 2 ( 4 ), where B = py-CH 2 CH 2 NHCH 2 C 6 H 4 SCH 3 . The [4]-rotaxane 3 is an isosceles triangle of three [2]-rotaxanes bound to the central triangle while the [3]-rotaxane 4 contains only two [2]-rotaxanes bound to the central triangle. Studies of the behavior of 3 and 4 in solution by small-angle X-ray scattering and atomistic molecular dynamic simulations show that the structure of 3 is similar to that found in the crystal but that 4 has a different conformation to the crystal. Continuous wave and pulsed electron paramagnetic resonance spectroscopy was used to study the structures present and demonstrate that in frozen solutions (at 5 K) 4 forms more extended molecules than 3 and with a wider range of conformations.

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Section: Discussionmentioning

confidence: 99%

Conformational Flexibility of Hybrid [3]- and [4]-Rotaxanes

et al. 2020

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“…Developing new kinds of MIMs − gives rise to emergent properties − associated with mechanical bonds. Suitanes are two-component MIMs in which one component (torso) with several protruding limbs is encompassed by another all-in-one component (suit).…”

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Suit[4]ane

Liu

Stern

2020

J. Am. Chem. Soc.

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Suitanes are two-component mechanically interlocked molecules in which one (torso) of the components, with several protruding limbs, is encompassed by another (suit) all-in-one component. This kind of molecular ship-in-a-bottle architecture remains a challenging one to make. Herein, we report a porphyrin-based suit[4]ane, which is composed of a porphyrin with four protruding ligands (two phenyl groups and two bromine atoms) called the limbs that are encompassed by a tricyclic octacationic cyclophane. The suit[4]ane can be obtained by slippage, a mechanism by which the cyclophane is able to open up two of its entrances in order to take up the porphyrin at high temperature and close them down at low temperature, locking the porphyrin inside its binding cavity. Dynamic 1H NMR spectroscopy reveals that the trapped porphyrin inside the cyclophane rocks back and forth in the suit[4]ane about 1000 times a second.

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“…[2][3][4] {Cr 7 Ni} has attracted special interests due to its overall S = 1/2 ground state and tunable coherence times of the spin states. 5 In the recent past, we have linked {Cr 7 Ni} rings into large assemblies 6,7 and proposed possible logic operations. 8,9 The high stability of these {Cr 7 Ni} rings makes it possible to functionalize them.…”

Section: Introductionmentioning

confidence: 99%