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One guest or two? A crystallographic and solution study of guest binding in a cubic coordination cage
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Taylor, Christopher G. P., Argent, Stephen P., Ludden, Michael, Piper, Jerico, Mozaceanu, Cristina, Barnett, Sarah and Ward, Michael D. (2020) One guest or two? A crystallographic and solution study of guest binding in a cubic coordination cage. Chemistry – A European Journal, 26 (14). pp. 3054-3064. doi:10.1002/chem.201905499 ISSN 1521-3765.
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WRAP-one-guest-two-crystallographic-guest-cubic-cage-Ward-2019.pdf - Accepted Version - Requires a PDF viewer. Download (3811Kb) | Preview |
Official URL: http://dx.doi.org/10.1002/chem.201905499
Abstract
A crystallographic investigation of a series of host/guest complexes in which small‐molecule organic guests occupy the central cavity of an approximately cubic M 8 L 12 coordination cage has revealed some unexpected behaviour. Whilst some guests form 1:1 H•G complexes as we have seen before, an extensive family of bicyclic guests – including some substituted coumarins and various saturated analogues – form 1:2 H•G 2 complexes in the solid state, despite the fact that solution titrations are consistent with 1:1 complex formation, and the combined volume of the pair of guests significantly exceeds the Rebek 55±9% packing for optimal guest binding, with packing coefficients of up to 87%. Re‐examination of solution titration data for guest binding in two cases showed that, although conventional fluorescence titrations are consistent with 1:1 binding model, alternative forms of analysis – Job plot and an NMR titration – at higher concentrations do provide evidence for 1:2 H•G 2 complex formation. The observation of guests binding in pairs in some cases opens up new possibilities for altered reactivity of bound guests, and also highlights the recently‐articulated difficulties associated with determining stoichiometry of supramolecular complexes in solution.
| Item Type: | Journal Article | ||||||||||||
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| Subjects: | Q Science > QD Chemistry | ||||||||||||
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||||||||
| Library of Congress Subject Headings (LCSH): | Chemistry, Organic, Macromolecules -- Research, Supramolecular chemistry, X-ray crystallography | ||||||||||||
| Journal or Publication Title: | Chemistry – A European Journal | ||||||||||||
| Publisher: | Wiley | ||||||||||||
| ISSN: | 1521-3765 | ||||||||||||
| Official Date: | 9 March 2020 | ||||||||||||
| Dates: |
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| Volume: | 26 | ||||||||||||
| Number: | 14 | ||||||||||||
| Page Range: | pp. 3054-3064 | ||||||||||||
| DOI: | 10.1002/chem.201905499 | ||||||||||||
| Status: | Peer Reviewed | ||||||||||||
| Publication Status: | Published | ||||||||||||
| Reuse Statement (publisher, data, author rights): | "This is the peer reviewed version of the following article: Taylor, C., Argent, S., Ludden, M., Piper, J., Mozaceanu, C., Barnett, S. and Ward, M. (2019), One guest or two? A crystallographic and solution study of guest binding in a cubic coordination cage. Chem. Eur. J. which has been published in final form at https://doi.org/10.1002/chem.201905499. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions." | ||||||||||||
| Access rights to Published version: | Restricted or Subscription Access | ||||||||||||
| Date of first compliant deposit: | 12 December 2019 | ||||||||||||
| Date of first compliant Open Access: | 9 December 2020 | ||||||||||||
| RIOXX Funder/Project Grant: |
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