Structural trends and variations in dinitramide salts - A balance between resonance stabilization and steric repulsion

Journal of Molecular Structure

Volumn 657, Issue 1-3, 2003, Pages 57-74

  Pinkerton, A Alan ^a   Ritchie, James P ^a,b  

^a UNIVERSITY OF TOLEDO   (United States)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

Atomic interaction lines; Crystal structures; Dinitramide; Energetic materials; Intermolecular interactions; Rotational barriers

Indexed keywords

AMIDE; DINITRAMIDE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; GEOMETRY; MOLECULAR INTERACTION; STEREOCHEMISTRY; STRUCTURE ANALYSIS; THEORY; X RAY ANALYSIS;

EID: 0041321165     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(03)00370-3     Document Type: Article

References (29)

1. R.D. Gilardi, J. Flippen-Anderson, C. George, R.J. Butcher, J. Am. Chem. Soc. 119 (1997) 9411.
2. (a) K.O. Christie, W.W. Wilson, M.A. Petrie, H.H. Michels, J.C. Bottaro, R. Gilardi, Inorg. Chem. 35 (1996) 5068.
3. (b) J.C. Bottaro, P.E. Penwell, R.J. Schmitt, J. Am. Chem. Soc. 119 (1997) 9405.
4. (c) J.C. Bottaro, R.J. Schmitt, P.E. Penwell, D.S. Ross, US Patents 5,198,204 and 5,254,324, 1991.
5. A. Martin, A.A. Pinkerton, R.D. Gilardi, J.C. Bottaro, Acta Cryst. B53 (1997) 504.
6. S. Trammell, P.A. Goodson, B. Sullivan, Inorg. Chem. 35 (1996) 1421.
7. R. Gilardi, R.J. Butcher, J. Chem. Crystallogr. 30 (2000) 599.
8. R.J. Butcher, R.D. Gilardi, J. Chem. Crystallogr. 28 (1998) 95.
9. R.D. Gilardi, R.J. Butcher, J. Chem. Crystallogr. 28 (1998) 105.
10. R.D. Gilardi, R.J. Butcher, J. Chem. Crystallogr. 28 (1998) 163.
11. R.D. Gilardi, R.J. Butcher, J. Chem. Crystallogr. 28 (1998) 673.
12. R. Tanbug, K. Kirschbaum, A.A. Pinkerton, J. Chem. Crystallogr. 29 (1999) 45.
13. M.E. Sitzmann, R. Gilardi, R.J. Butcher, W.M. Koppes, A.G. Stern, J.S. Thrasher, N.J. Trivedi, Z.-Y. Yang, Inorg. Chem. 39 (2000) 843.
14. P. Politzer, J.M. Seminario, M.C. Concha, J. Mol. Struct. (Theochem) 427 (1998) 123.
15. D.R. Lide, Handbook of Chemistry and Physics, 81st ed., CRC Press, Boca Raton, FL, 2000.
16. V.A. Shlyapochnikov, M.A. Tafipolsky, I.V. Tokmakov, E.S. Baskir, O.V. Anikin, Yu.A. Strelenko, O.A. Luk'yanov, V.A. Tartakovsky, J. Mol. Struct. 559 (2001) 147.
17. F.H. Allen, J.E. Davies, J.J. Galloy, O. Johnson, O. Kennard, C.F. Macrae, E.M. Mitchell, G.F. Mitchell, J.M. Smith, D.G. Watson, J. Chem. Inf. Comput. Sci. 31 (1991) 187.
18. J.P. Ritchie, S.M. Bachrach, I.C. Faloona, VGEOM: a Program to View Molecular Geometries, QCPE, QCMP063, 1989
19. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, 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, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.9, Gaussian, Inc., Pittsburgh PA, 1998.
20. See: SHELXTL Reference Manual, Version 5.1, Bruker AXS, Inc., Madison, WI, 1997, Part Number 269-015901-1197
21. J.R. Green, D. Margerison, Statistical Treatment of Experimental Data, Elsevier, New York, 1983.
22. R.F.W. Bader, Atoms in Molecules, Clarendon Press, Oxford, 1995.
23. P. Politzer, J.M. Seminario, M.C. Concha, P.C. Redfern, J. Mol. Struct. 287 (1993) 235.
24. (a) E.A. Zhurova, V.G. Tsirelson, A.I. Stash, A.A. Pinkerton, J. Am. Chem. Soc. 124 (2002) 4574.
25. (b) E.A. Zhurova, A. Martin, A.A. Pinkerton, J. Am. Chem. Soc. 124 (2002) 8741.
26. R.F.W. Bader, J. Phys. Chem. 102 (1998) 7314.
27. (a) J. Cioslowski, L. Edgington, B.B. Stefanov, J. Am. Chem. Soc. 117 (1995) 10381.
28. (b) S.M. Bachrach, J. Am. Chem. Soc. 109 (1986) 6406.
29. P. Claverie, in: B.E. Pullman (Ed.), Intermolecular Interactions: from Diatomics to Polymers, Wiley, New York, 1978, Chapter 2.