Neural networks evaluating NMR data: An approach to visualize similarities and relationships of sol-gel derived inorganic-organic and organometallic hybrid polymers

Journal of Chemical Information and Computer Sciences

Volumn 42, Issue 1, 2002, Pages 36-45

  Hoehn, Frank ^a   Lindner, Ekkehard ^a   Mayer, Hermann A ^a   Hermle, Thomas ^a   Rosenstiel, Wolfgang ^a  

^a UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

HYBRID POLYMERS;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANOMETALLICS; SELF ORGANIZING MAPS; SOL-GELS;

METALLORGANIC POLYMERS;

EID: 0036431511     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci010373z     Document Type: Article

References (41)

1. Supported Organometallic Complexes. Part 28. Part 27: Lindner, E.; Brugger, S.; Steinhrecher, S.; Plies, E.; Seiler, M.; Bertagnolli, H.; Wegner, P.; Mayer, H.A. Novel sol-gel processed rhodium(I) complexes: synthesis characterization and catalytic reactions in interphases. Inorg. Chim. Acta 2002, 327, 54-65.
2. Pomogailo, A.D. Specific Characteristics of Catalysis by Polymerimmobilised Complexes. Russ. Chem. Rev. 1992, 61, 133-153.
3. Marqusee, J.A.; Dill, J. Solute Partitioning Into Chain Molecule Interphases. Monolayers, Bilayer Membranes, and Micelles. J. Chem. Phys. 1986, 85, 434-444.
4. Sander, L.C.; Wise, S.A. In Retention and Selectivity Studies in HPLC; Smith, R.M., Ed.; Elsevier: Amsterdam, 1994; pp 337-369.
5. Dorsey, J.G.; Dill, K.A. The Molecular Mechanism of Retention in Reversed-phase Liquid Chromatography. Chem. Rev. 1989, 89, 331-346.
6. Lindner, E.; Schneller, T.; Auer, F.; Mayer, H.A. Chemistry in Interphases-A New Approach to Organometallic Syntheses and Catalysis. Angew. Chem. 1999, 111, 2288 2309; Angew. Chem., Int. Ed. Engl. 1999, 38, 2154-2174.
7. Lindner, E.; Schneller, T.; Auer, F.; Mayer, H.A. Chemistry in Interphases-A New Approach to Organometallic Syntheses and Catalysis. Angew. Chem. 1999, 111, 2288 2309; Angew. Chem., Int. Ed. Engl. 1999, 38, 2154-2174.
8. Brinker, C.J.; Scherer, G.W. Sol-Gel Science; Academic Press: London, 1990.
9. Lindner, E.; Kemmler, M.; Mayer, H.A.,; Wegner, P. Polysiloxane-Bound Ether-Phosphines and Ruthenium Complexes. A Characterization by Solid-State NMR Spectroscopy and Catalysis. J. Am. Chem. Soc. 1994, 116, 348-361.
10. Lindner, E.; Jäger, A.; Schneller, T.; Mayer, H.A. Mobility Studies on Sol-Gel Processed Ether-Phosphines and Their Ruthenium(II) Complexes with Different Spacer Lengths. A Solid State NMR Study. Chem. Mater. 1997, 9, 81-90.
11. 3. Chem. Mater. 1997, 9, 1524-1537.
12. 5)Ru(II) Complexes. Chem. Mater. 1999, 11, 1833-1845.
13. Lindner, E.; Salesch, T.A general synthetic route for the synthesis of mono-T-silyl functionalized aromatic phosphines as ligands for chemistry in interphases. J. Organomet. Chem. 2001, 628, 151-154.
14. 2 in Chromatography. Ph.D. Thesis, Universität Tübingen, 2001.
15. (a) Büchele, J. Ph.D. Thesis: Multikem-Festkörper-NMR-Spektroskopie zur Charakterisiemng von Struktur und Dynamik stationärer Phasen sowie zur Hydratation zementgebundener Materialien; Universität Tübingen, 1999.
16. (b) Büchele, J,; Mayer, H.A. Chemistry in Interphases. The solid-phase Synthesis of Well-Defined Rhodium and Iridium Phosphine Complexes. Chem. Commun. 1999, 2165-2166.
17. Lindner, E.; Bragger, S.; Steinbrecher, S.; Plies, E.; Sailer, M.; Bertagnolli, H.; Wegner, P. Novel sol-gel processed rhodium(I) complexes: synthesis characterization and catalytic reactions in interphases. Inorg. Chim. Acta 2002, 327, 54-65.
18. Lindner, E.; Brugger, S.; Steinbrecher, S.; Plies, E.; Mayer, H.A. Accessibility and solid-state NMR studies on sol-gel processed diphosphine ligands. Z. Anorg. Allg. Chem. 2001, 627, 1731-1740.
19. 29Si NMR. J. Am. Chem. Soc. 1980, 102, 4889-4893. Q: quadrifunctional silicon; T: trifunctional silicon; D: difunctionai silicon.
20. 4.
21. Lindner, E.; Salesch, T.; Hoehn, F.; Mayer, H.A. Novel D- and T-functionalized Polysiloxane Matrices for Reactions in Interphases. Z. Anorg. Allg. Chem. 1999, 625, 2133-2143.
22. Zupan, J.; Gasteiger, J. Neural Networks for Chemists; VCH Verlagsgesellschaft: Weinheim, 1993.
23. Zell, A. Simulation Neuronaler Netze; Addison-Wesley: Reading, MA, 1994.
24. Kohonen, T. Self-organized Formation of Topology Correct Feature Maps. Biol. Cybern. 1982, 43, 59-69.
25. Göppert, J. Die topologisch interpolierende selbstorganisierende Karte in der Funktionsapproximation; Shaker Verlag: Aachen, 1996.
26. Ultsch, A. In Information and Classification; Opitz, O., Lausen, B., Klar, R., Eds.; Springer-Verlag: New York, 1993; pp 307-313.
27. Fyfe, C.A. Solid State NMR for Chemists; CRC Press: Guelph, ON, 1984.
28. Fyfe, C.A,; Zhang, Y.; Aroca, P. An Alternative Preparation of Organofunctionalized Silica Gels and Their Characterization by Twodimensional High-resolution Solid-state Heteronuclear NMR Correlation Spectroscopy. J. Am. Chem. Soc. 1992, 114, 3252-3255.
29. Eckert, H. Structural Characterization of Noncrystalline Solids and Glasses Using Solid State NMR. Prog. Nucl. Magn. Reson. Spectrosc. 1992, 24, 159-293.
30. 13C NMR Spectroscopy of Polymers. Angew. Chem. 1988, 100, 1525-1540; Angew. Chem., Int. Ed. Engl. 1988, 27, 1468.
31. 13C NMR Spectroscopy of Polymers. Angew. Chem. 1988, 100, 1525-1540; Angew. Chem., Int. Ed. Engl. 1988, 27, 1468.
32. 13C NMR of Solid Polymers. Polym. Bull. 1982, 8, 253-259.
33. Koenig, J.L.; Andreis, M. In Solid State NMR of Polymers; Mathias, L.J., Ed.; Plenum Press: New York, 1991; pp 201-213.
34. Abragam, A. The principles of Nuclear Magnetism; Clarendon Press: Oxford, 1961; pp 138, 139.
35. Spiess, H.W. Structure and Dynamics of Solid Polymers from 2D-and 3D-NMR. Chem. Rev. 1991, 91, 1321-1328.
36. McBrierty, V.J.; Douglass, D.C. Recent Advances in the NMR of Solid Polymers. J. Polym. Sci., Part D: Macromol. Rev. 1981, 16, 295-366.
37. Mehring, M. Principles of High-Resolution NMR in Solids; Springer-Verlag: New York, 1983.
38. McArthur, D.A.; Hahn, E.L.; Walstadt, R.E. Rotating-frame Nucleardouble-resonance Dynamics: Dipolar Fluctuation Spectrum in Calcium Fluoride. Phys. Rev. 1969, 188, 609.
39. 13C NMR Analysis of Motion in Solid Glassy Polymers. Macromolecules 1977, 10, 384-405.
40. Hench, L.L.; West, J.K. The Sol-gel Process. Chem. Rev. 1990, 90, 33-72.
41. Cerveau, G.; Corriu, J.P.; Framery, E. Sol-gel process: Influence of the Temperature on the Textural Properties of Organosilsesquioxane Materials. J. Mater. Chem. 2000, 10, 1617-1622.