The structure of water in p-sulfonatocalix[4]arene

Chemistry - A European Journal

Volumn 17, Issue 37, 2011, Pages 10259-10271

  Fucke, Katharina ^a   Anderson, Kirsty M ^a   Filby, Maria H ^a   Henry, Marc ^b   Wright, Jonathan ^c   Mason, Sax A ^d   Gutmann, Matthias J ^e   Barbour, Leonard J ^f   Oliver, Clive ^g   Coleman, Anthony W ^h   Atwood, Jerry L ⁱ   Howard, Judith A K ^a   Steed, Jonathan W ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

^b UNIVERSITÉ DE STRASBOURG   (France)

^c EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

^d INSTITUT LAUE LANGEVIN   (France)

^e RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^f STELLENBOSCH UNIVERSITY   (South Africa)

^g UNIVERSITY OF CAPE TOWN   (South Africa)

^h UNIVERSITÉ DE LYON   (France)

ⁱ UNIVERSITY OF MISSOURI   (United States)

Author keywords

aromaticity; calixarenes; neutron diffraction; structure elucidation; water chemistry

Indexed keywords

ATOMS; CRYSTAL STRUCTURE; HYDRATES; HYDRATION; MOLECULES; NEUTRON DIFFRACTION; NEUTRONS; PHENOLS; SINGLE CRYSTALS;

AROMATICITIES; CALIXARENES; COORDINATED WATER; MOLECULAR CAVITY; POLYMORPHIC MODIFICATIONS; STRUCTURE ELUCIDATION; STRUCTURE OF WATERS; WATER CHEMISTRY;

HYDROGEN BONDS;

EID: 80052257468     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201101748     Document Type: Article

References (73)

1. L. J. Barbour, G. W. Orr, J. L. Atwood, Nature 1998, 393, 671-673.
2. W. F. Kuhs, M. S. Lehmann, Water Sci. Rev. 1986, 2, 1-65
3. 2O: A Biography of Water, Phoenix, London, 2004, p. 400.
4. S. K. Ghosh, P. K. Bharadwaj, Inorg. Chem. 2004, 43, 6887-6889
5. S. K. Ghosh, P. K. Bharadwaj, Angew. Chem. Int. Ed. 2004, 43, 4390-4390
6. L. S. Long, Y. R. Wu, R. B. Huang, L. S. Zheng, Inorg. Chem. 2004, 43, 3798-3800
7. S. Supriya, S. K. Das, New J. Chem. 2003, 27, 1568-1574
8. S. Supriya, S. Mankumari, P. Raghavaiah, S. K. Das, New J. Chem. 2003, 27, 218-220
9. S. K. Ghosh, P. K. Bharadwaj, Inorg. Chem. 2005, 44, 5553-5555
10. H. J. Kim, H. J. Jo, J. Kim, S. Y. Kim, D. Kim, K. Kim, CrystEngComm 2005, 7, 417-420
11. J. Tao, Z. J. Ma, R. B. Huang, L. S. Zheng, Inorg. Chem. 2004, 43, 6133-6135
12. S. K. Ghosh, P. K. Bharadwaj, Inorg. Chem. 2004, 43, 5180-5182
13. S. K. Ghosh, J. Ribas, P. K. Bharadwaj, CrystEngComm 2004, 6, 250-256
14. S. K. Ghosh, P. K. Bharadwaj, Inorg. Chem. 2003, 42, 8250-8254
15. K. Raghuraman, K. K. Katti, L. J. Barbour, N. Pillarsetty, C. L. Barnes, K. V. Katti, J. Am. Chem. Soc. 2003, 125, 6955-6961
16. B. Q. Ma, H. L. Sun, S. Gao, Chem. Commun. 2005, 2336-2338
17. B. Q. Ma, H. L. Sun, S. Gao, Chem. Commun. 2004, 2220-2221
18. R. J. Doedens, E. Yohannes, M. I. Khan, Chem. Commun. 2002, 62-63
19. M. Yoshizawa, T. Kusukawa, M. Kawano, T. Ohhara, I. Tanaka, K. Kurihara, N. Niimura, M. Fujita, J. Am. Chem. Soc. 2005, 127, 2798.
20. A. Nangia, in Water Clusters in Crystal Hydrates, Vol. 1:1 (Eds.:, J. L. Atwood, J. W. Steed,), Taylor & Francis, 2007, pp. 1-9
21. K. Fucke, J. W. Steed, Water 2010, 2, 333-350.
22. M. Mascal, L. Infantes, J. Chisholm, Angew. Chem. 2006, 118, 36-41
23. Angew. Chem. Int. Ed. 2006, 45, 32-36.
24. J. Bernstein, Polymorphism in Molecular Crystals, Clarendon Press, Oxford, 2002
25. Polymorphism: In the Pharmaceutical Industry (Ed.:, R. Hilfiker,), Wiley-VCH, Weinheim, 2006.
26. L. Infantes, S. Motherwell, CrystEngComm 2002, 4, 454-461
27. L. Infantes, J. Chisholm, S. Motherwell, CrystEngComm 2003, 5, 480-486
28. L. Infantes, L. Fabian, W. D. S. Motherwell, CrystEngComm 2007, 9, 65-71.
29. A. S. Verkman, P. Weyer, D. Brown, D. A. Ausiello, J. Biol. Chem. 1989, 264, 20608-20613.
30. E. T. K. Haupt, C. Wontorra, D. Rehder, A. Muller, Chem. Commun. 2005, 3912-3914
31. M. Henry, H. Bogge, E. Diemann, A. Muller, J. Mol. Liq. 2005, 118, 155-162
32. A. Muller, H. Bogge, M. Henry, Comptes Rend. Chim. 2005, 8, 47-56
33. M. Henry, F. Taulelle, T. Loiseau, L. Beitone, G. Ferey, Chem. Eur. J. 2004, 10, 1366-1372
34. M. Henry, J. Cluster Sci. 2003, 14, 267-287.
35. S. W. Benson, E. D. Siebert, J. Am. Chem. Soc. 1992, 114, 4269-4276.
36. G. Mustata, J. M. Briggs, Protein Eng. Des. Sel. 2004, 17, 223-234.
37. W. E. Royer, A. Pardanani, Q. H. Gibson, E. S. Peterson, J. M. Friedman, Proc. Natl. Acad. Sci. USA 1996, 93, 14526-14531.
38. M. M. Teeter, Proc. Natl. Acad. Sci. USA 1984, 81, 6014-6018.
39. E. N. Baker, J. Mol. Biol. 1980, 141, 441-484.
40. A. Liljas, K. K. Kannan, P. C. Bergsten, I. Waara, K. Fridborg, B. Strandberg, U. Carlbom, L. Jarup, S. Lovgren, M. Petef, Nature (London) New Biol. 1972, 235, 131-137.
41. T. Koop, Z. Phys. Chem. 2004, 218, 1231-1258
42. M. Matsumoto, S. Saito, I. Ohmine, Nature 2002, 416, 409-413.
43. G. A. Jeffrey, An Introduction to Hydrogen Bonding, OUP, Oxford, 1997.
44. J. L. Atwood, F. Hamada, K. D. Robinson, G. W. Orr, R. L. Vincent, Nature 1991, 349, 683-684.
45. J. L. Atwood, L. J. Barbour, M. J. Hardie, C. L. Raston, Coord. Chem. Rev. 2001, 222, 3-32.
46. G. W. Orr, L. J. Barbour, J. L. Atwood, Science 1999, 285, 1049-1052.
47. A. Drljaca, M. J. Hardie, C. L. Raston, J. Chem. Soc. Dalton 1999, 3639-3642.
48. A. W. Coleman, S. G. Bott, S. D. Morley, C. M. Means, K. D. Robinson, H. Zhang, J. L. Atwood, Angew. Chem. 1988, 100, 1412-1413
49. Angew. Chem. Int. Ed. Engl. 1988, 27, 1361-1362.
50. J. L. Atwood, A. W. Coleman, H. Zhang, S. G. Bott, J. Inclusion Phenom. Macrocyclic Chem. 1989, 7, 203-211.
51. K. M. Anderson, K. Afarinkia, H.-W. Yu, A. E. Goeta, J. W. Steed, Cryst. Growth Des. 2006, 6, 2109-2113
52. J. W. Steed, CrystEngComm 2003, 5, 169-179.
53. F. H. Allen, Acta Crystallogr. Sect. B 2002, 58, 380-388.
54. M. Henry, ChemPhysChem 2002, 3, 561-569.
55. W. S. Benedict, N. Gailar, E. K. Plyler, J. Chem. Phys. 1956, 24, 1139-1165.
56. G. Ferraris, M. Franchini-Angela, Acta Crystallogr. Sect. B 1972, 28, 3572-3583.
57. N. Mohan, K. P. Vijayalakshmi, N. Koga, C. H. Suresh, J. Comput. Chem. 2010, 31, 2874-2882.
58. B. D. OstojiÄ, G. V. JanjiÄ, S. D. ZariÄ, Chem. Commun. 2008, 6546-6548.
59. S. Li, V. R. Cooper, T. Thonhauser, A. Puzder, D. C. Langreth, J. Phys. Chem. A 2008, 112, 9031-9036.
60. E. S. Kryachko, H. Nakatsuji, J Phys Chem. A 2002, 106, 731-742.
61. M. Rubeš, P. Nachtigall, J. Vondrášek, O. BludskÃ, J Phys Chem. C 2009, 113, 8412-8419.
62. N. Hontama, Y. Inokuchi, T. Ebata, C. Dedonder-Lardeux, C. Jouvet, S. S. Xantheas, J. Phys. Chem. A 2010, 114, 2967-2972.
63. The mean bond length was found with the program Mogul 1.2 on a set of 33 structures that contain sodium hexagonally coordinated to water (extracted from the CSD 5.31 with updates from November 2009 to August 2010).
64. J. W. Steed, J. L. Atwood, Supramolecular Chemistry, 2nd Ed., Wiley, Chichester, 2009
65. E. V. Anslyn, D. A. Dougherty, Modern Physical Organic Chemistry, University Science Books, Sausalito, CA, USA, 2006.
66. J. C. Labiche, O. Mathon, S. Pascarelli, M. A. Newton, G. G. Ferre, C. Curfs, G. Vaughan, A. Homs, D. F. Carreiras, Rev. Sci. Instrum. 2007, 78, 091301.
67. G. M. Sheldrick, Acta Crystallogr. Sect. A 2008, 64, 112-122.
68. J. C. Buffet, J. F. Clergeau, R. G. Cooper, J. Darpentigny, A. De Laulany, C. Fermon, S. Fetal, F. Fraga, B. Guerard, R. Kampmann, A. Kastenmueller, G. J. Mc Intyre, G. Manzin, F. Meilleur, F. Millier, N. Rhodes, L. Rosta, E. Schooneveld, G. C. Smith, H. Takahashi, P. Van Esch, T. L. Van Vuure, K. Zeitelhack, Nucl. Instrum. Methods Phys. Res. Sect. A 2005, 554, 392-405.
69. J. M. Archer, M. S. Lehmann, J. Appl. Crystallogr. 1986, 19, 456-458.
70. C. Wilkinson, H. W. Khamis, R. F. D. Stansfield, G. J. McIntyre, J. Appl. Crystallogr. 1988, 21, 471-478.
71. L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565.
72. D. A. Keen, M. J. Gutmann, C. C. Wilson, J. Appl. Crystallogr. 2006, 39, 714-722.
73. M. J. Gutmann (2005), SXD2001, ISIS Facility, Rutherford Appleton Laboratory, Oxfordshire, England.