Anion binding of 3,4-dichloro-2,5-diamidopyrrole and anionic self-assembly dimerization of its deprotonated species

Journal of Molecular Structure: THEOCHEM

Volumn 864, Issue 1-3, 2008, Pages 26-30

  Navakhun, Korakot ^a   Ruangpornvisuti, Vithaya ^b  

^a RAMKHAMHAENG UNIVERSITY   (Thailand)

^b Faculty of Science   (Thailand)

Author keywords

Anion coordination; Anionic self assembly dimer; DFT; ONIOM; Pyrrole anion dimer; Supramolecular complex

Indexed keywords

EID: 49449116020     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.05.032     Document Type: Article

References (25)

1. Beer P.D., and Gale P.A. Angew. Chem. Int. Ed. 40 (2001) 486
2. Gunnlaugsson T., Glynn M., Tocci (née Hussey) G.M., Kruger P.E., and Pfeffer F.M. Coord. Chem. Rev. 250 (2006) 3094
3. Kang S.O., Powell D., Day V.W., and Bowman-James K. Angew. Chem. Int. Ed. 45 (2006) 1921
4. Shenderovich I.G., Tolstoy P.M., Golubev N.S., Smirnov S.N., Denisov G.S., and Limbach H.H. J. Am. Chem. Soc. 125 (2003) 11710
5. Evans L.S., Gale P.A., Light M.E., and Quesada R. Chem. Commun. (2006) 965
6. Brooks S.J., Evans L.S., Gale P.A., Hursthouse M.B., and Light M.E. Chem. Commun. (2005) 734
7. Costero A.M., Banuls M.J., Aurell M.J., Ward M.D., and Argent S. Tetrahedron 60 (2004) 9471
8. Liu B., and Tian H. J. Mater. Chem. 15 (2005) 2681
9. Coles S.J., Frey J.G., Glae P.A., Hursthouse M.B., Light M.E., Navakhun K., and Thomas G.L. Chem. Commun. (2003) 568
10. Light M.E., Gale P.A., and Navakhun K. Acta Cryst. E62 (2006) o1097
11. Camiolo S., Gale P.A., Hursthouse M.B., and Light M.E. Org. Biomol. Chem. 1 (2003) 741
12. Gale P.A., Navakhun K., Camiolo S., Light M.E., and Hursthouse M.B. J. Am. Chem. Soc. 124 (2002) 11228
13. Light M.E., Gale P.A., and Navakhun K. Acta Cryst. E61 (2005) o1300
14. Light M.E., Gale P.A., and Navakhun K. Acta Cryst. E61 (2005) o1302
15. Navakhun K., and Ruangpornvisuti V. J. Mol. Struct. (Theochem) 772 (2006) 23
16. Navakhun K., and Ruangpornvisuti V. J. Mol. Struct. (Theochem) 806 (2007) 145
17. Camiolo S., Gale P.A., Hursthouse M.B., Light M.E., and Shi A.J. Chem. Commun. (2002) 758
18. Maseras F., and Morokuma K. J. Comput. Chem. 16 (1995) 1170
19. Humbel S., Sieber S., and Morokuma K. J. Chem. Phys. 105 (1996) 1959
20. Becke A.D. J. Chem. Phys. 98 (1993) 5648
21. Lee C., Yang W., and Parr R.G. Phys. Rev. B37 (1988) 785
22. Wanno B., Du A.J., Ruangpornvisuti V., and Smith S.C. Chem. Phys. Lett. 436 (2007) 218
23. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003.
24. MOLDEN 4.2: G. Schaftenaar, CAOS/CAMM Center Nijmegen, Toernooiveld, Nijmegen, The Netherlands, 1991.
25. MERCURY 1.4.2: The Cambridge Crystallographic Data Centre, Cambridge, UK, 2004.