Reversible repositioning of zinc atoms within single crystals of a zinc polycarboxylate with an open-framework structure

Journal of the American Chemical Society

Volumn 126, Issue 34, 2004, Pages 10502-10503

  Hanson, Kenneth ^a   Calin, Nathalie ^a   Bugaris, Daniel ^a   Scancella, Michael ^a   Sevov, Slavi C ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACID DERIVATIVE; COBALT; OXYGEN; POLYCARBOXYLATE ZINC; TETRAHYDROFURAN 2,3,4,5 TETRACARBOXYLIC ACID; TETRAHYDROFURAN DERIVATIVE; UNCLASSIFIED DRUG; ZINC;

ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DESICCATION; HEATING; ROOM TEMPERATURE; STRUCTURE ANALYSIS; SYNTHESIS; WATER ABSORPTION;

EID: 4344659732     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0474190     Document Type: Article

References (16)

1. (a) Férey, G. Chem. Mater. 2001, 13, 3084.
2. (b) Rao, C. N. R.; Natarajan, S.; Vaidhyanathan, R. Angew. Chem., Int. Ed. 2004, 43, 1466.
3. (c) Yaghi, O. M.; Li, H.; Davis, C.; Richardson, D.; Groy, T. L. Acc. Chem. Res. 1998, 31, 474.
4. (d) Zaworotko, M. J. Angew. Chem., Int. Ed. 2000, 39, 3052.
5. (e) Clearfield, A. Curr. Opin. Solid State Mater. Sci. 1996, 1, 268.
6. 2O in molar ratios 1:6:1120 for 1 and 1:9:1490 for 2, both modified with NaOH to pH of 5.5, were loaded in Teflon-lined autoclaves (23-mL capacity) and were heated for 3 days at 140 and 95 °C, for 1 and 2, respectively. Both compounds form beautiful cuboctahedral crystals, purple for 1 and colorless for 2. Elemental analysis for 2 (Galbraith, meas./calc. %): Zn, 36.36/35.93; C, 16.41/16.26; H, 2.702/2.4; Na, <0.1/0.0.
7. 1) for 1 and 2, respectively.
8. Determined from data collected on an Enraf-Nonius CAD4 diffractometer with Kα radiation, were the structures of compound 1 that was: (a) heated at 170 °C under vacuum (a = 20.329(1) Å, R1/wR2 = 6.95/14.32%), (b) treated as (a) and then exposed to air for 2 days (a = 20.448(1) Å, R1/ wR2 = 5.41/13.02%), (c) heated at 200 °C under vacuum (a = 20.273-(1) Å, R1/wR2 = 8.21/18.52%), and (d) treated as (c) and then exposed to air for 2 days (a = 20.495(1) Å, R1/wR2 = 5.31/13.62%).
9. (a) Rather, B.; Zaworotko, M. J. Chem. Commun. 2003, 830.
10. (b) Su, C. Y.; Goforth, A. M.; Smith, M. D.; Pellechia, P. J.; zur Loye, H. C. J. Am. Chem. Soc. 2004, 126, 3576.
11. (c) Te, R. L.; Griesser, U. J.; Morris, K. R.; Byrn, S. R.; Stowell, J. G. Cryst. Growth Des. 2003, 3, 997.
12. (d) Kepert, C. J.; Rosseinsky, M. Chem. Commun. 1999, 375.
13. (e) Li, H.; Eddaudi, M.; O'Keefe, M.; Yaghi, O. M. Nature, 1999, 402, 276.
14. Determined from data collected on Enraf-Nonius CAD4 with Kα radiation, were the structures of compound 2 that was: (a) heated at 170 °C under vacuum (a = 20.482(1) Å, R1/wR2 = 7.37/15.79%, new position occupancy of 75%), (b) heated at 220 °C under vacuum (a = 20.483(1) Å, R1/wR2 = 7.66/16.62%, new position occupancy of 100%), and (c) treated as (b) and then exposed to air for 2 days (a = 20.713(1) Å, R1/ wR2 = 5.97/13.53%, new position occupancy of 32%). Small and incomplete data set was collected for a dehydrated crystal that was then kept in water for 2 days. The refinement showed only 11% occupancy of the new position.
15. (a) Iordanidis, L.: Kanatzidis, M. G. J. Am. Chem. Soc. 2000, 122, 8319.
16. (b) Iordanidis, L.; Kanatzidis, M. G. Angew. Chem., Int. Ed. 2000, 39, 1927.