Bowls, balls and sheets of boric acid clusters: The role of pentagon and hexagon motifs

Journal of Physical Chemistry A

Volumn 109, Issue 38, 2005, Pages 8587-8593

  Elango, M ^a   Parthasarathi, R ^a   Subramanian, V ^a   Sathyamurthy, N ^b  

^a CENTRAL LEATHER RESEARCH INSTITUTE   (India)

^b INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACIDS; DIMERS; HYDROGEN BONDS; MOLECULAR STRUCTURE;

AB INITIO CALCULATIONS; BUCKYBALL; ROSETTE; TETRAMER FORMS;

INORGANIC ACIDS;

BORIC ACID;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION;

BORIC ACIDS; COMPUTER SIMULATION; MODELS, CHEMICAL; MOLECULAR STRUCTURE;

EID: 26844580767     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053382+     Document Type: Article

References (24)

1. Kroto, H. W.; Heath, J. R.; O'Brien, S. C.; Curl, R. F.; Smalley, R. E. Nature 1985, 318, 162.
2. Iijima, S. Nature 1991, 354, 56.
3. Pauling, L. The Nature of the Chemical Bond, 3rd ed.; Cornell University Press: Ithaca, NY, 1960; p 469.
4. Ludwig, R.; Appelhagen, A. Angew. Chem., Int. Ed. 2005, 44, 811.
5. Miyazaki, M.; Fujii, A.; Ebata, T.; Mikami, N. Science 2004, 304, 1134.
6. Shin, J.-W.; Hammer, N. L.; Diken, E. G.; Johnson, M. A.; Walters, R. S.; Jaeger, T. D.; Duncan, M. A.; Christie, R. A.; Jordan, K. D. Science 2004, 304, 1137.
7. Li, Y.; Ruoff, R. S.; Chang, R. P. H. Chem. Mater. 2003, 15, 3276.
8. Andrews, L.; Burkholder, T. R. J. Chem. Phys. 1992, 97, 7203;
9. Zaki, K.; Pouchan, C. Chem. Phys. Lett. 1995, 236, 184.
10. Zachariasen, W. H. Z. Kristallogr. 1934, 88, 150;
11. Acta Crystallogr. 1954, 7, 305.
12. Zapol, P.; Curtiss, L. A.; Erdemir, A. J. Chem. Phys. 2000, 113, 3338.
13. Wang, W.; Zhang, Y.; Huang, K. Chem. Phys. Lett. 2005, 405, 425.
14. Wang, W.; Zhang, Y.; Huang, K. J. Phys. Chem. B 2005, 109, 8562.
15. Maheshwary, S.; Patel, N.; Sathyamurthy, N.; Kulkarni, A. D.; Gadre, S. R. J. Phys. Chem. A 2001, 105, 10525.
16. Frisch, M. J.; et al.Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
17. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
18. Bader, R. F. W. Atoms in Molecules: A Quantum Theory; Clarendon Press: Oxford, U.K., 1990.
19. Biegler-Konig, F.; Schonbohm, J.; Derdau, R.; Bayles, D.; Bader, R. F. W. AIM 2000, version 1; Bielefeld, Germany, 2000.
20. Gadre, S. R.; Shirsat, R. N. Electrostatics of Atoms and Molecules; Universities Press: Hyderabad, 2000.
21. GaussianView 3.0; Gaussian Inc.: Pittsburgh, PA, 2003.
22. Seiders, T. J.; Baldridge, K. K.; Grube, G. H.; Siegel, J. S. J. Am. Chem. Soc. 2001, 123, 517.
23. Dinadayalane, T. C.; Deepa, S.; Sastry, G. N. Tetrahedron Lett. 2003, 44, 4527.
24. Jeffrey, G. A. An Introduction to Hydrogen Bonding; Oxford University Press: Oxford, NY, 1997.