Charge transfer complexes between azidopentazole and aromatic nuclei

Journal of Molecular Structure: THEOCHEM

Volumn 674, Issue 1-3, 2004, Pages 153-157

  Rozental, Ester ^a   Goldberg, Moshe ^a,b   Basch, Harold ^a   Hoz, Shmaryahu ^a  

^a BAR ILAN UNIVERSITY   (Israel)

^b Ministry of Defence Government of Israel   (Israel)

Author keywords

Azidopentazole; Charge transfer complex; Polynitrogen

Indexed keywords

AROMATIC COMPOUND; AZIDOPENTAZOLE; BENZENE; NITROBENZENE; PYRROLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; QUANTUM MECHANICS; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 1942436702     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.02.001     Document Type: Article

References (48)

1. Leffler J.E., Grunwald E. Rates and Equilibria of Organic Reactions. 1963;Wiley, New York. p. 65.
2. Christe K.O., Wilson W.W., Sheehy J.A., Boatz J.A. Angew. Chem., Int. Ed. 38:1999;2004.
3. Ha T.-K., Suleimenov D., Nguyen M.T. Chem. Phys. Lett. 315:1999;327.
4. Bartlett R.J. Chem. Ind. (London). 2000;140.
5. Chung G., Schmidt M.W., Gordon M.S. J. Phys. Chem. A. 104:2000;5647.
6. Zheng J.P., Waluk J., Spanget-Larsen J., Blake D.M., Radziszewski J.G. Chem. Phys. Lett. 328:2000;227.
7. Manaa M.R. Chem. Phys. Lett. 331:2000;262.
8. Gagliardi L., Evangelisti S., Bernhardsson A., Lindh R., Roos B.O. Int. J. Quantum Chem. 77:2000;311.
9. Bittererova M., Brinck T., Ostmark H. J. Phys. Chem. A. 104:2000;11999.
10. Wang X., Tian A., Wang N.B., Law C.-K., Lee W.K. Chem. Phys. Lett. 338:2001;367.
11. Kortus J., Pederson M.R., Richardson S.L. Chem. Phys. Lett. 340:2001;565.
12. Tobita M., Bartlett R.J. J. Phys. Chem. A. 105:2001;4107.
13. Wang X., Ren Y., Shuai M.B., Wong N.B., Li W.K., Tian A.M. J. Mol. Struct. (Theochem). 538:2001;145.
14. Ren Y., Wang X., Wong N.B., Tian A.M., Ding F.J., Zhang L.F. Int. J. Quantum Chem. 82:2001;34.
15. Li Q.S., Wang L.J. J. Phys. Chem. A. 105:2001;1203.
16. Fau S., Bartlett R.J. J. Phys. Chem. A. 105:2001;4096-4106.
17. Vij A., Wilson W.W., Vij V., Tham F.S., Sheehy J.A., Christe K.O. J. Am. Chem. Soc. 123:2001;6308-6313.
18. Vij A., Pavlovich J.G., Wilson W.W., Vij V., Christe K.O. Angew. Chem. Int. Ed. 41:2002;3051-3054.
19. Li Q.S., Zhao J.F. J. Phys. Chem. A. 106:2002;5367-5372.
20. Fau S., Wilson K.J., Bartlett R.J. J. Phys. Chem. A. 106:2002;4639-4644.
21. Gagliardi L., Pyykko P. J. Phys. Chem. A. 106:2002;4690-4694.
22. Hammerl A., Klapotke T.M. Inorg. Chem. 41:2002;906-912.
23. Lee E.P.F., Dyke J.M., Claridge R.P. J. Phys. Chem. A. 106:2002;8680-8695.
24. Wilson W.W., Vij A., Vij V., Bernhardt E., Christe K.O. Chem.-Eur. J. 9:2003;2840-2844.
25. Butler R.N., Stephens J.C., Burke L.A. Chem. Commun. 2003;1016-1017.
26. Trinquier G., Malrieu J.-P., Daudey J.-P. Chem. Phys. Lett. 80:1981;552-557.
27. Alkorta I., Elguerro J., Rozas I., Balaban A.T. J. Mol. Struct. (Theochem). 206:1990;67-75.
28. Engelke R., Stine J.R. J. Phys. Chem. 94:1990;5689-5694.
29. Engelke R. J. Org. Chem. 57:1992;4841-4846.
30. Lauderdale W.J., Stanton J.F., Bartlett R.J. J. Phys. Chem. 96:1992;1173-1178.
31. Engelke R. J. Am. Chem. Soc. 115:1993;2961-2967.
32. Leininger M.L., van Huis T.J., Schaefer H.F. III. J. Phys. Chem. A. 101:1997;4460-4464.
33. Chen C., Shyu S.-F. Int. J. Quantum Chem. 73:1999;349-356.
34. Jursic B.S. J. Mol. Struct. (Theochem). 530:2000;21-30.
35. Leininger M.L., Sherill C.D., Schaefer H.F. III. J. Phys. Chem. 99:1995;2324-2328.
36. Glukhovtsev M.N., Jiao H., Schleyer P.R. Inorg. Chem. 35:1996;7124-7133.
37. Ghimarc B.M., Zhao M. Inorg. Chem. 35:1996;3289-3297.
38. Tian A., Ding F., Zhang L., Xie Y., Schaefer H.F. III. J. Phys. Chem. A. 101:1997;1946-1950.
39. Gagliardi L., Evangelisti S., Roos B.O., Widmark P.-O. J. Mol. Struct. (Theochem). 428:1998;1-8.
40. Nguyen M.T., Ha T.K. Chem. Ber. 129:1996;1157-1159.
41. Chung G., Schmidt M.W., Gordon M.S. J. Phys. Chem. A. 104:2000;5647-5650.
42. Goldberg M., Hoz S., Basch H. J. Mol. Struct. (Theochem). 603:2003;135-143.
43. Hammerl A., Klapotke T.M., Noth H., Warchold M. Propellants, Explos. Pyrotech. 28:2003;165-173.
44. Mulliken R.S. J. Am. Chem. Soc. 72:1950;610.
45. Prout C.K., Kamenar B. Foster R. Molecular Complexes, vol. 1. 1973;Crane, Russak and Co. New York. (Chapter 4).
46. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery J.A. Jr., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Frakas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B.G., Chen W., Wong M.W., Andres J.L., Head-Gordon M., Replogle E.S., Pople J.A. GAUSSIAN 98, Revision A.4. 1998;Gaussian, Inc. Pittsburgh, PA.
47. Schwenke D.W., Truhhlar D.G. J. Chem. Phys. 82:1985;2418.
48. 8-trinitrobenzene system.