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Structure and Function pp 235–253Cite as

Influence of Size and Shape on Inclusion Properties of Transition Metal-Based Wheel-and-Axle Diols

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Abstract

It is widely recognized that molecular shape has a key role in orienting and modulating crystal packing efficiency and it is consequently also crucial in determining host–guest properties of solid state materials. This chapter is focused on inclusion propensity of transition metal-based systems designed to have a wheel-and-axle shape, which has shown to favour the inclusion of small guest in the solid state. The wheel-and-axle transition metal-based molecules are built by combining a vast library of wheels and axles: the terminal wheels are ligands of different shapes, and the linear axles are made by using metals of different coordination stereochemistry. These systems generally assemble in flexible dynamic frameworks, which can create pores on demand to accommodate small guest molecules. The framework is able to switch between two similarly stable states: the apohost, sustained by host–host contacts, and the solvate form, sustained by host–guest interactions. The transition between the two states is reversible, so that the process can be recycled. In this chapter the role of modifications of size and shape induced by changing metal stereochemistry and wheel hindrance are discussed, showing that both axle linearity and wheel bulkiness are needed to obtain inclusion properties.

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Notes

  1. 1.

    In this sense the terms “axle” and “wheel” are used to describe the structure of pseudorotaxanes and rotaxanes, where a linear “axle” interpenetrates a cyclic “wheel” [46].

  2. 2.

    Crystals of 1, 2 and 3 were obtained by recrystallization of Pd(LOH2)CH3COO2 and SnLOH2Cl4 from DMSO, p-xylene and dichloromethane, respectively. Crystal data: (1) \({\mathrm{C}}_{52}{\mathrm{H}}_{68}{\mathrm{N}}_{6}{\mathrm{O}}_{8}{\mathrm{PdS}}_{2},\mathrm{MW} = 1, 075.64,\mathrm{a} = 11.43\left (1\right ),\mathrm{b} = 13.095\left (5\right ),\mathrm{c} = 9.194\left (9\right )\) Å, \(\alpha = 94.01\left (4\right ),\beta = 94.02\left (9\right ),\gamma = 92.87{\left (6\right )}^{\circ }\), triclinic, P-1, R1I > 2sI = 0. 0631, wR2I > 2sI = 0. 1749. CCDC 732407. (2) C72H86N6O6Pd, \(\mathrm{MW} = 1, 237.87,\mathrm{a} = 7.7578\left (7\right ),\mathrm{b} = 15.082\left (1\right )\), c = 15. 1621 Å, α = 106. 8791, β = 98. 1782, γ = 98. 9602 ∘ , triclinic, P-1, \(\mathrm{R}1\left (\mathrm{I} > 2\mathrm{s}\left (\mathrm{I}\right )\right ) = 0.0472,\mathrm{wR}2\left (\mathrm{I} > 2\mathrm{s}\left (\mathrm{I}\right )\right ) = 0.1206\). CCDC 732408. (3) C38H36Cl8N2O2Sn, MW = 954. 98, a = 7. 44276, b = 18. 8411, c = 15. 1601 Å, β = 96. 6621 ∘ , monoclinic, P21 ∕ c, R1I > 2sI = 0. 0436, wR2I > 2sI = 0. 1168. CCDC 732409.

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Authors and Affiliations

  1. Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Università di Parma, V.le G.P.Usberti – Campus Universitario, 43124, Parma, Italy

    Alessia Bacchi & Mauro Carcelli

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  1. Alessia Bacchi
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  2. Mauro Carcelli
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Correspondence to Alessia Bacchi .

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  1. Fak. Chemie, Universität Heidelberg, Im Neuenheimer Feld 270, Heidelberg, 69120, Germany

    Peter Comba

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Bacchi, A., Carcelli, M. (2010). Influence of Size and Shape on Inclusion Properties of Transition Metal-Based Wheel-and-Axle Diols. In: Comba, P. (eds) Structure and Function. Springer, Dordrecht. https://doi.org/10.1007/978-90-481-2888-4_10

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