NMR diffusion spectroscopy for the characterization of multicomponent hydrogen-bonded assemblies in solution

Peter Timmerman, Jean Luc Weidmann, Katrina A. Jolliffe, Leonard J. Prins, David N. Reinhoudt, Seiji Shinkai, Limor Frish, Yoram Cohen

Research output: Contribution to journalArticle

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Abstract

NMR diffusion measurements on 10 different multicomponent hydrogen-bonded assemblies, viz. the three single rosettes SR1-SR3 (13·2a3, 13·2b3, 13·2c3) the double rosettes DR1-DR5 (3a3·2a6, 3b3·2b6, 3c3·2a6, 3d3·2a6, 3e3·2a6), and DR6 (4a3·16), and the tetrarosette TR (53·2a12) are described. Some of the above rosettes have been previously identified as well-defined assemblies (viz. SR1, DR1-DR3, and TR) using established characterization techniques (1H NMR spectroscopy, X-ray diffraction, and MALDI-TOF MS after Ag+-labeling). The diffusion coefficients of these assemblies were studied and used as a reference for the identification of three new assemblies (DR4-DR6), the characterization of which could not be established unequivocally using other characterization tools. A good correlation was found between the experimental and calculated diffusion coefficients when DR1 was used as a reference. A relatively good correlation was obtained between the effective hydrolytic radii calculated from the diffusion data and those extracted from gas phase-minimized structures with SR1 and DR2 being exceptions. The diffusion measurements show that assembly DR4 is a thermodynamically stable species, while assemblies DR5 and DR6 are less stable and only present to a minor extent.

Original languageEnglish
Pages (from-to)2077-2089
Number of pages13
JournalJournal of the Chemical Society. Perkin Transactions 2
Issue number10
Publication statusPublished - Oct 1 2000
Externally publishedYes

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Hydrogen
Nuclear magnetic resonance
Spectroscopy
Phase structure
Labeling
Nuclear magnetic resonance spectroscopy
Gases
X ray diffraction

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

Timmerman, P., Weidmann, J. L., Jolliffe, K. A., Prins, L. J., Reinhoudt, D. N., Shinkai, S., ... Cohen, Y. (2000). NMR diffusion spectroscopy for the characterization of multicomponent hydrogen-bonded assemblies in solution. Journal of the Chemical Society. Perkin Transactions 2, (10), 2077-2089.

NMR diffusion spectroscopy for the characterization of multicomponent hydrogen-bonded assemblies in solution. / Timmerman, Peter; Weidmann, Jean Luc; Jolliffe, Katrina A.; Prins, Leonard J.; Reinhoudt, David N.; Shinkai, Seiji; Frish, Limor; Cohen, Yoram.

In: Journal of the Chemical Society. Perkin Transactions 2, No. 10, 01.10.2000, p. 2077-2089.

Research output: Contribution to journalArticle

Timmerman, P, Weidmann, JL, Jolliffe, KA, Prins, LJ, Reinhoudt, DN, Shinkai, S, Frish, L & Cohen, Y 2000, 'NMR diffusion spectroscopy for the characterization of multicomponent hydrogen-bonded assemblies in solution', Journal of the Chemical Society. Perkin Transactions 2, no. 10, pp. 2077-2089.
Timmerman P, Weidmann JL, Jolliffe KA, Prins LJ, Reinhoudt DN, Shinkai S et al. NMR diffusion spectroscopy for the characterization of multicomponent hydrogen-bonded assemblies in solution. Journal of the Chemical Society. Perkin Transactions 2. 2000 Oct 1;(10):2077-2089.
Timmerman, Peter ; Weidmann, Jean Luc ; Jolliffe, Katrina A. ; Prins, Leonard J. ; Reinhoudt, David N. ; Shinkai, Seiji ; Frish, Limor ; Cohen, Yoram. / NMR diffusion spectroscopy for the characterization of multicomponent hydrogen-bonded assemblies in solution. In: Journal of the Chemical Society. Perkin Transactions 2. 2000 ; No. 10. pp. 2077-2089.
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