Syntheses, structures and theoretical investigations of 1λ 4,3λ4,5λ 4-trithia-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1(9),2,3,5,7-pentaenes

European Journal of Inorganic Chemistry

Volumn , Issue 17, 2003, Pages 3211-3220

  Knapp, Carsten ^a   Lork, Enno ^a   Borrmann, Tobias ^a   Stohrer, Wolf Dieter ^a   Mews, Rüdiger ^a  

^a UNIVERSITY OF BREMEN   (Germany)

Author keywords

Fluorine; Nitrogen; Quantum chemistry; Solid state structures; Sulfur

Indexed keywords

CHEMICAL BONDS; CHLORINE COMPOUNDS; FLUORINE; QUANTUM CHEMISTRY; QUANTUM THEORY; SUBSTITUTION REACTIONS; SULFUR;

ARYL SUBSTITUENTS; BICYCLIC SYSTEMS; BONDING MODEL; ELECTRONWITHDRAWING; PENTAENE; SOLID-STATE STRUCTURES; THEORETICAL CALCULATIONS; THEORETICAL INVESTIGATIONS; TITLE COMPOUNDS; X-RAY STRUCTURE;

NITROGEN;

BICYCLO COMPOUND; TRITHIA 2,4,6,8,9 PENTAAZABICYCLO[3.3.1]NONA 1(9),2,3,5,7 PENTAENE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DERIVATIZATION; DIMERIZATION; ELECTRON SPIN RESONANCE; HYDROGEN BOND; MOLECULAR INTERACTION; PHOTOLYSIS; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

EID: 0141815005     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/ejic.200300111     Document Type: Article

References (38)

1. R. Maggiulli, R. Mews, W.-D. Stohrer, M. Noltemeyer, G. M. Sheldrick, Chem. Ber. 1988, 121, 1881-1889.
2. T. Chivers, J. F. Richardson, N. R. M. Smith, Inorg. Chem. 1986, 25, 272-275.
3. [a] R. T. Boeré, A. W. Cordes, R. T. Oakley, J. Chem. Soc., Chem. Commun. 1985, 929-930.
4. [b] R. T. Boeré, A. W. Cordes, R. T. Oakley, Acta Crystallogr., Sect. C 1985, 42, 1833-1834.
5. R. T. Boeré, J. Fait, K. Larsen, J. Yip, Inorg. Chem. 1992, 31, 1417-1423.
6. A. J. Banister, W. Clegg, I. B. Gorrell, Z. V. Hauptmann, R. W. H. Small, J. Chem. Soc., Chem. Commun. 1987, 1611-1613.
7. S. J. Chen, Doctoral thesis, Universität Bremen, Germany, 1993.
8. R. Maggiulli, R. Mews, W.-D. Stohrer, M. Noltemeyer, Chem. Ber. 1990, 123, 29-34.
9. [a] R. T. Boeré, A. W. Cordes, S. L. Craig, J. B. Graham, R. T. Oakley, J. A. J. Privett, Chem. Commun. 1986, 807-808.
10. [b] R. T. Boeré, G. Ferguson, R. T. Oakley, Acta Crystallogr., Sect. C 1986, 42, 900-902.
11. [c] R. T. Boeré, A. W. Cordes, R. T. Oakley, J. Am. Chem. Soc. 1987, 109, 7781-7785.
12. V. A. Bagryansky, N. P. Gritsan, Y. N. Molin, K. V. Shuvaev, A. V. Zibarev, personal communication.
13. [a] J. M. Rawson, A. J. Banister, I. Lavender, Adv. Heterocyclic Chem. 1995, 62, 137-247.
14. [b] J. M. Rawson, F. Palacio, Struct. Bonding 2001, 100, 93-128.
15. R. T. Boeré, R. T. Oakley, R. W. Reed, N. P. C. Westwood, Centenary of the Discovery of Fluorine, International Symposium, Paris, 1986, Abstr. I32.
16. R. Maggiulli, Diploma thesis, Universität Göttingen, Germany 1986.
17. A. W. Cordes, R. T. Oakley, R. T. Boeré, Acta Crstallogr., Sect. C 1985, 41, 1833-1834.
18. T. Chivers, F. Edelmann, J. F. Richardson, N. R. M. Smith, O. Treu Jr., M. Trsic, Inorg. Chem. 1986, 25, 2119-2125.
19. R. T. Boeré, R. T. Oakley, R. W. Reed, J. Organomet. Chem. 1987, 331, 161-167.
20. C. Knapp, E. Lork, P. G. Watson, R. Mews, Inorg. Chem. 2002, 41, 2014-2025.
21. [a] R. T. Boeré, R. T. Oakley, M. Shevalier, J. Chem. Soc., Chem. Commun. 1987, 110-112.
22. [b] K. T. Bestari, R. T. Boeré, R. T. Oakley, J. Am. Chem. Soc. 1989, 111, 1579-1584.
23. [a] P. J. Hayes, R. T. Oakley, A. W. Cordes, W. T. Pennington, J. Am. Chem. Soc. 1985, 107, 1346-1351.
24. [b] R. T. Boeré, R. T. Oakley, R. W. Reed, N. P. C. Westwood, J. Am. Chem. Soc. 1989, 111, 1180-1185.
25. T. Borrmann, unpublished results
26. P. Kaszynski, J. Phys. Chem. A 2001, 105, 7615-7625.
27. Centro Svizzero di Calcolo Scientifico (CSCS), Manno, Switzerland.
28. e.g. [a] T. Borrmann, A. V. Zibarev, E. Lork, G. Knitter, S.-J. Chen, P. G. Watson, E. Cutin, M. M. Shakirov, W.-D. Stohrer, R. Mews, Inorg. Chem. 2000, 39, 3999-4005.
29. [b] A. D. Bond, D. A. Haynes, C. M. Pask, J. M. Rawson, J. Chem. Soc., Dalton Trans. 2002, 2522-2531; A. D. Bond, D. A. Haynes, J. M. Rawson, Can. J. Chem, 2002, 80, 1507-1517.
30. [b] A. D. Bond, D. A. Haynes, C. M. Pask, J. M. Rawson, J. Chem. Soc., Dalton Trans. 2002, 2522-2531; A. D. Bond, D. A. Haynes, J. M. Rawson, Can. J. Chem, 2002, 80, 1507-1517.
31. M. F. Lappert, M. J. Slade, A. Singh, J. L. Atwood, R. D. Rogers, R. Shakir, J. Am. Chem. Soc. 1983, 105, 302-304.
32. A. Apblett, T. Chivers, J. Chem. Soc., Chem. Commun. 1989, 96-97; A. Apblett, T. Chivers, Phorsphorus, Sulfur, Silicon Relat. Elem. 1989, 41, 439-447.
33. A. Apblett, T. Chivers, J. Chem. Soc., Chem. Commun. 1989, 96-97; A. Apblett, T. Chivers, Phorsphorus, Sulfur, Silicon Relat. Elem. 1989, 41, 439-447.
34. C. P. Warrens, J. D. Woolins, Inorg. Synth. 1989, 25, 43-47.
35. W. L. Jolly, K. D. Maguire, Inorg. Synth. 1967, 9, 102-109.
36. G. M. Sheldrick, SHELX-97 Programs for Crystal Structure Analysis (Release 97-2), Institut für Anorganische Chemie der Universität Göttingen, Germany 1997.
37. Diamond-Visual Crystal Structure Information System, Crystal Impact, Bonn, Germany.
38. Gaussian 98, Revision A. 7, 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, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian Inc., Pittsburgh PA, 1998.