The fluoroacyltris(trifiuoromethyl)borate ion, [(CF3)3BC(O)F]-, a fluoroacylboron complex

Angewandte Chemie - International Edition

Volumn 42, Issue 9, 2003, Pages 1052-1055

  Finze, Maik ^a   Bernhardt, Eduard ^a   Willner, Helge ^a   Lehmann, Christian W ^b  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

Borates; Density functional calculations; Fluoroacyl ligands; NMR spectroscopy; Vibrational spectroscopy

Indexed keywords

BORON COMPOUNDS; COMPLEXATION; NEGATIVE IONS;

NUCLEOPHILIC ADDITION;

FLUORINE COMPOUNDS;

BORON DERIVATIVE; FLUOROACYLTRIS(TRIFLUOROMETHYL)BORATE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; COMPLEX FORMATION; CONFORMATION; DIFFERENTIAL SCANNING CALORIMETRY; INFRARED SPECTROSCOPY; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE; RAMAN SPECTROMETRY; VIBRATION;

EID: 0037416332     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200390272     Document Type: Article

References (33)

1. M. H. Rock in Methods of Organic Chemistry (Houben-Weyl) 4th ed. 1952-, vol. E 10b/Part 1 1999.
2. R. F. Stratton, A. H. Nielsen, J. Mol. Spectrosc. 1960, 4, 373.
3. D. Koschel, U. Niemann, Gmelin Handbook of Inorganic and Organometallic Chemistry: Perfluorohalogenoorgano Compounds of Main Group Elements - Aliphatic and Aromatic Compounds of Nitrogen, vol. 8 (Supplement Vol. 5), Springer, Berlin, 1991.
4. A. Haas, Gmelins Handbuch der anorganischen Chemie: Perfluorhalogenorgano-Verbindungen der Hauptgruppenelemente, vol. 8 (Supplement Vol. 9), VCH, Weinheim, 1973.
5. A. Hermann, F. Trautner, K. Gholivand, S. von Ahsen, E. L. Varetti, C. O. Della, H. Willner, H. Oberhammer, Inorg. Chem. 2001, 40, 3979.
6. J. Overend, J. C. Evans, J. Chem. Soc. Faraday Trans. 1959, 55, 1817.
7. A. J. Blake, R. W. Cockman, E. A. V. Ebsworth, J. H. Holloway, J. Chem. Soc. Chem. Commun. 1988, 529.
8. B. von Ahsen, M. Berkei, G. Henkel, H. Willner, F. Aubke, J. Am. Chem. Soc. 2002, 124, 8371.
9. S. A. Brewer, K. S. Coleman, J. Fawcett, J. H. Holloway, E. G. Hope, D. R. Russel, P. G. Watson, J. Chem. Soc. Dalton Trans. 1995, 1073.
10. M. Finze, E. Bernhardt, A. Terheiden, M. Berkei, H. Willner, D. Christen, H. Oberhammer, F. Aubke, J. Am. Chem. Soc. 2002, 124, 15385.
11. A. Terheiden, E. Bernhardt, H. Willner, F. Aubke, Angew. Chem. 2002, 114, 823;
12. Angew. Chem. Int. Ed. 2002, 41, 799.
13. E. Bernhardt, G. Henkel, H. Willner, G. Pawelke, H. Bürger, Chem. Eur. J. 2001, 7, 4696.
14. P. S. Hubbard, J. Chem. Phys. 1970, 53, 985.
15. T. K. Halstead, P. A. Osment, B. C. Sanctuary, J. Tagenfeldt, I. J. Lowe, J. Magn. Reson. 1986, 67, 267.
16. A. Abragam, Principles of Nuclear Magnetism, Clarendon, Oxford, 1986.
17. D. J. Brauer, H. Bürger, Y. Chebude, G. Pawelke, Inorg. Chem. 1999, 38, 3972.
18. S. Berger, S. Braun, H.-O. Kalinowski, NMR-Spektroskopie von Nichtmetallen, vol. 4, Thieme, Stuttgart, 1994.
19. J. L. Adcock, R. J. Lagow, J. Am. Chem. Soc. 1974, 96, 7588.
20. H. Schachner, W. Sundermeyer, J. Fluorine Chem. 1981, 18, 259.
21. N. V. Ignat'ev, M. Schmidt, U. Heider, A. Kucherina, P. Sartori, F. M. Helmy, J. Fluorine Chem. 2002, 113, 201.
22. G. A. Argüello, H. Willner, F. E. Malanca, Inorg. Chem. 2000, 39, 1195.
23. A. H. Nielsen, T. G. Burke, P. J. H. Woltz, E. A. Jones, J. Chem. Phys. 1952, 20, 596.
24. J. Weidlein, Schwingungsspektroskopie, 2. ed., Thieme, Stuttgart, 1988.
25. Gaussian98 (RevisionA.6), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, 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. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1998.
26. 1 = 0.0514 (I>2σ (I)).
27. 3BCF]) contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB21EZ, UK; fax: (+44)1223-336-033; or deposit@ ccdc.cam.ac.uk).
28. J. H. M. Brake, R. A. J. Driessen, F. C. Mijlhoff, G. H. Renes, A. H. Lowrey, J. Mol. Struct. 1982, 81, 277.
29. E Trautner, S. Reinemann, R. Minkwitz, H. Oberhammer, J. Am. Chem. Soc. 2000, 122, 4193.
30. J. H. Carpenter, J. Mol. Struct. 1974, 50, 182.
31. R. D. Shannon, Acta Crystallogr. Sect. A 1976, 32, 751.
32. Z. Otwinowski, W. Minor, Methods Enzymol. 1997, 276, 307.
33. G. M. Sheldrick, SHELXS-97 and SHELXL-97, Program System for the Determination and Refinement of Crystal Structures, University of Göttingen, 1997.