NMR spectroscopic and molecular modelling study of the solution structure and the complexational behavior of maleonitrile tetrahia crown ethers with silver(I)

Journal of Physical Organic Chemistry

Volumn 17, Issue 3, 2004, Pages 257-265

  Holzberger, Anja ^a   Holdt, Hans Jürgen ^a   Kleinpeter, Erich ^a  

^a UNIVERSITY OF POTSDAM   (Germany)

Author keywords

Maleonitrile tetrathia crown ethers; Molecular modelling; NMR spectroscopy; Silver(I) complexes

Indexed keywords

ATOMS; CHARGE TRANSFER; COMPLEXATION; CONFORMATIONS; CRYSTAL LATTICES; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SILVER; SOLUTIONS; STOICHIOMETRY;

COMPLEXATIONAL BEHAVIOR; DONOR ATOMS; FREE AND COMPLEXED LIGANDS; MALEONITRILE TETRATHIA CROWN ETHERS WITH SILVERS; MOLECULAR MODELLING; RELAXATION TIME MEASUREMENT; SILVER COMPLEXES;

CROWN ETHERS;

EID: 1642408733     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.724     Document Type: Article

References (32)

1. (a) Lange SJ, Sibert JW, Stern CL, Barrett AGM, Hoffman BM. Tetrahedron 1995; 51: 8175-8188.
2. (b) Holdt H-J, Poetter M. Inorg. Chim. Acta to be published.
3. Wolf RE. J. Am. Chem. Soc. 1987; 109: 4328-4338.
4. (a) Hiraoka M. Studies in Organic Chemistry 12: Crown Compounds. Elsevier: Amsterdam, 1982.
5. (b) Inoue Y, Gokel GW (eds). Cation Binding by Macrocycles. Marcel Dekker: New York, 1990.
6. (c) Lehn JM, Atwood JL, Davies JED, MacNicol DD, Vögtle F (series eds). Comprehensive Supramolecular Chemistry, vols 1-11. Pergamon/Elsevier: Oxford, 1996.
7. Kleinpeter E, Grotjahn M, Klika KD, Drexler H-J, Holdt H-J. J. Chem. Soc., Perkin Trans. 2 2001; 988-993.
8. Grotjahn M, Drexler H-J, Jäger N, Holdt H-J, Kleinpeter E. J. Mol. Model. 1997; 3: 355-358.
9. (a) Drexler H-J, Reinke H, Holdt H-J. Chem. Ber. 1996; 129: 807-820.
10. (b) Drexler H-J, Grotjahn M, Holdt H-J, Kleinpeter E. Inorg. Chim. Acta 1999; 285: 305-308.
11. (c) Drexler H-J, Starke I, Grotjahn M, Reinke H, Holdt H-J, Kleinpeter E. Z. Naturforsch., 1999; 546: 799-806.
12. Drexler H-J, Starke I, Grotjahn M, Holdt H-J, Kleinpeter E. Inorg. Chim. Acta 2001; 317: 133-142.
13. Grotjahn M, Jäger N, Drexler H-J, Holdt H-J, Kleinpeter E. J. Mol. Model. 1999; 5: 72-77.
14. Gutowski HS, Holm CH. J. Chem. Phys. 1956; 25: 1228-1234.
15. Friebolin H. Ein- und Zweidimensionale NMR-Spektroskopie. VCH: Weinheim, 1988.
16. (a) Shibata Y, Inoue B, Nakatuka Y. Nippon Kagaku Kaishi 1921; 42: 983-1005.
17. (b) Tsuchida R. Bull. Chem. Soc. Jpn. 1935; 10: 27-39.
18. (c) Job P. C. R. Acad. Sci. 1925; 180: 928-930.
19. (d) Job P. Ann. Chim. Phys. 1928; 9: 113-203.
20. SYBYL Molecular Modelling Software, Version 6.8. Tripos: St. Louis, MO, 2001.
21. Clark M, Cramer RD III, Van Opdenbosch N. J. Comput. Chem. 1989; 10: 982-1012.
22. SYBYL Molecular Modelling Software, Force Field Manual Version 6.8. Tripos: St. Louis, MO, 2001.
23. (a) Zerner M, Loew GH, Kirchner RF, Mueller-Westerhoff UT. J. Am. Chem. Soc. 1980; 102: 589-599.
24. (b) Anderson WP, Edwards WD, Zerner MC. Inorg. Chem. 1986; 25: 2728-2732.
25. (c) Zerner MC. Reviews in Computational Chemistry II. VCH: New York, 1991; Chap. 8, 313-365.
26. (d) Bacon AD, Zerner MC. Theor. Chim. Acta 1979; 53: 21-54.
27. (e) Anderson WP, Cundari TR, Zerner MC. Int. J. Quantum Chem. 1991; 39: 31-45.
28. (a) Rose NJ, Drago RS, J. Am. Chem. Soc. 1959; 81: 6138-6141.
29. (b) Nagakura S, Nakano NI, Higuchi T. J. Am. Chem. Soc. 1958; 80: 520-524.
30. Hirose K. J. Inclusion Phenom. 2001; 39: 193-209.
31. SYBYL Molecular Modelling Software, Molecular Spreadsheet Manual, Version 6.8. Tripos: St. Louis, MO, 2001.
32. CSD Cambridge Structural Database. Crystallographic Data Centre: Cambridge.