Superstructure control in the crystal growth and ordering of urea inclusion compounds

Science

Volumn 273, Issue 5280, 1996, Pages 1355-1359

  Hollingsworth, M D ^a   Brown, M E ^a   Hillier, A C ^b,d   Santarsiero, B D ^c   Chaney, J D ^a  

^a INDIANA UNIVERSITY   (United States)

^b University of Minnesota   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d University of Virginia   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CRYSTAL STRUCTURE; DNA HELIX; DNA TEMPLATE; KINETICS; NONHUMAN; NUCLEAR MAGNETIC RESONANCE IMAGING; PRIORITY JOURNAL; PROTEIN ASSEMBLY; TANDEM REPEAT; X RAY DIFFRACTION;

EID: 0029818752     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.273.5280.1355     Document Type: Article

References (36)

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17. K. D. M. Harris, S. P. Smart, M. D. Hollingsworth, J. Chem. Soc. Faraday Trans. 87, 3423 (1991); K. D. M. Harris and M. D. Hollingsworth, Proc. R. Soc. London Ser. A 431, 245 (1990); I. J. Shannon, N. M. Stainton, K. D. M. Harris, J. Mater. Chem. 3, 1085 (1993).
18. K. D. M. Harris, S. P. Smart, M. D. Hollingsworth, J. Chem. Soc. Faraday Trans. 87, 3423 (1991); K. D. M. Harris and M. D. Hollingsworth, Proc. R. Soc. London Ser. A 431, 245 (1990); I. J. Shannon, N. M. Stainton, K. D. M. Harris, J. Mater. Chem. 3, 1085 (1993).
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20. Because each host-guest system gives rise to a unique set of structure factors, there is no single set of diffraction maxima that can be used to quantitatively compare the extent of interchannel guest molecule ordering in the different systems. Thus, a crude comparison of discrete and diffuse scattering from guests is given in Table 1. See N. Nicolaides, F. Laves, A. Niggli, J. Am. Chem. Soc. 78, 6415 (1956).
21. For a discussion, see J. I. Lauritzen Jr., J. Chem. Phys. 28, 118 (1958).
22. h to denote the average molecular repeat distance for the guest and the 11.0 Å repeat for six urea molecules.
23. g = 16.5 Å that is required for a commensurate structure. Although the source of this anomaly is not yet clear, the peak shifts suggest mixtures of commensurate and incommensurate phases, which we observed in the powder XRD patterns of 2-undecanone/urea and 6-undecanone/urea. Other phenomena, such as dislocation effects on the positions of the Bragg maxima, have not yet been documented. See (6) and B. E. Warren, Phys. Rev. 59, 693 (1941).
24. g= O Å) (6) of guests in linear alkane/UICs can be understood in terms of the same commensurate structures. [The guest repeats for alkanone/UICs (Table 1) are all within 0.1 Å of those reported for the analogous alkane/UICs. See H. U. Lenné, H. C. Mez, W. Schlenk Jr., Justus Liebigs Ann. Chem. 732, 70 (1970).]
25. g = O Å grow as (001) plates.
26. h), the bridging by ureas of the terminal methyl ketone groups, and the long chain length of the guest (which inhibits guest protrusion).
27. In cases for which co-inclusion of guests is possible (such as mixtures of 2-undecanone and 6-undecanone), the 3D ordering of guests is diminished considerably, and needles are favored.
28. By solid-state NMR (12) and XRD, which probe intraand interchannel ordering of guests, the needles and plates are structurally indistinguishable.
29. Mean aspect ratios for 2-dodecanone/urea and 2-undecanone/urea grown from isobutyl alcohol were 6 ± 2 and 13 ± 7, respectively. See (2) for an alternative role of solvent molecules.
30. In conjunction with this solvent dependence and (22), we note that the most dramatic example of habit modification we have observed occurred with mixed UICs of 1,10-dichlorodecane and 1,10-dicyanodecane grown from a 7:1 mixture of the guests and urea in isobutyl alcohol; the aspect ratios for these crystals were remarkably high and ranged from 500 to 2500.
31. The delicate nature of the {001} surfaces of 2-decanone/urea crystals resulted in continual etching during imaging, which prevented an accurate picture of the surface topography.
32. H C. Chang, R. Popovitz-Biro, M. Lahav, L, Leiserowitz, J. Am. Chem. Soc. 104, 614 (1982).
33. 12), but the oscillation photographs strongly favor the commensurate relations.
34. C, K. Johnson, Rep. ORNL-3794 (Oak Ridge National Laboratory, Oak Ridge, TN, 1965).
35. We thank C. R. Goss, C. J. Nichols, M. D. Ward, A. E. Aliev, and K. D. M. Harris for their help with this work, and J. M. McBride for critical comments on the manuscript. This work was supported by the National Science and Engineering Research Council (Canada), the Petroleum Research Fund (administered by the American Chemical Society), the National Science Foundation (CHE-9423726), and the Alfred P. Sloan Foundation (fellowship to M.D.H.).
36. March 1996; accepted 3 July 1996