Molecular modeling of calixarenes with group i metal ions

Journal of Molecular Modeling

Volumn 4, Issue 1, 1998, Pages 44-52

  Bell, Steven E J ^a   McKervey, M Anthony ^a   Fayne, Darren ^b   Kane, Patrick ^b   Diamond, Dermot ^b  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^b DUBLIN CITY UNIVERSITY   (Ireland)

Author keywords

Calixarenes; Host guest interactions; Inclusion complexes; Metallocalixarenes; Molecular mechanics

Indexed keywords

EID: 0011710453     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s008940050136     Document Type: Article

References (18)

1. Groenen, L. C.; Vanloon, J. D.; Verboom, W.; Harkema, S.; Casnati, A.; Ungaro, R.; Pochini, A.; Ugozzoli, F. and Reinhoudt, D. N. J. Am. Chem. Soc. 1991, 113, 2385- 2392.
2. Grootenhuis, P. D. J.; Kollman, P. A.; Groenen, L. C.; Reinhoudt, D. N.; Vanhummel, G. J.; Ugozzoli, F. and Andreetti, G. D. J. Am. Chem. Soc. 1990, 112, 4165-4176.
3. Stewart, D. R.; Krawiec, M.; Kashyap, R. P.; Watson, W. H. and Gutsche, C. D. J. Am. Chem. Soc. 1995, 117, 586- 601.
4. Neri, P.; Foti, M.; Ferguson, G.; Gallagher, J. F.; Kaitner, B.; Pons, M.; Molins, M. A.; Giunta, L. and Pappalardo, S. J. Am. Chem. Soc. 1992, 114, 7814-7821.
5. Guilbaud, P.; Varnek, A. and Wipff, G. J. Am. Chem. Soc. 1993, 115, 8298-8312.
6. Guilbaud, P. and Wipff, G. J. Mol. Struct. Theochem. 1996, 366, 55-63.
7. Lipkowitz, K. B. and Pearl, G. J. Org. Chem. 1993, 58, 6729-6736.
8. HyperChem(TM) is available from Hypercube, Inc., 1115 N.W. 4th Street, Gainesville, Florida 32601, USA.
9. Allinger, N. L. J. Am. Chem. Soc. 1977, 99, 8127.
10. .Dewar, M. J. S. J. Am. Chem. Soc. 1977, 99, 4899.
11. .Dewar, M. J. S. and McKee, M. L. J. Am. Chem. Soc. 1977, 99, 5231.
12. .Dewar, M. J. S. and Rzepa, H. J. Am. Chem. Soc. 1978, 100, 58.
13. Cambridge Crystallographic Data Centre, University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, U.K.
14. Andreetti, G. D.; Ori, O.; Ugozzoli, F.; Alfieri, C.; Pochini, A. and Ungaro, R. J. Inclusion Phenom. 1988, 6, 523- 536.
15. Bell, S. E. J.; Browne, J. K.; McKervey, M. A.; Malone, J. F.; O'Leary, M.; Walker, A.; Arnaud-Neu, F.; Boulangeot, O.; Mauprivez, O. and Schwing-Weill, M.- J. J. Org. Chem. in press.
16. .Harrowfield, J. M.; Ogden, M. I.; Richmond, W. R. and White, A. H. J. Chem. Soc. Chem. Commun. 1991, 1159- 1161.
17. Bott, S. G.; Coleman, A. W. and Atwood, J. L. J. Am. Chem. Soc. 1986, 108, 1709-1710.
18. Stewart, J. J. P. J. Comput. Chem. 1991, 12, 320-341.