Prediction of initiation efficiency in radical photopolymerization: The case of benzoyl and isopropylketyl radicals

Macromolecules

Volumn 38, Issue 10, 2005, Pages 4521-4524

  Lalevée, Jacques ^a   Allonas, Xavier ^a   Fouassier, Jean Pierre ^a  

^a Ecole Nationale Superieure de Chimie de Mulhouse   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CHARGE TRANSFER; CHEMICAL BONDS; ENERGY TRANSFER; ENTHALPY; MOLECULAR DYNAMICS; MONOMERS; RATE CONSTANTS;

ENERGY BARRIERS; MOLECULAR ORBITALS; MONOMERIC UNITS; PHOTOINITIATOR (PI);

PHOTOPOLYMERIZATION;

EID: 19944403936     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma050203d     Document Type: Article

References (23)

1. Lalevée, J.; Allouas, X.; Louerat, F.; Fouassier J. P. J. Phys. Chem. A. 2002, 106, 6702.
2. Allonas, X.; Lalevée, J.; Fouassier, J. P. J. Photochem. Photobiol., A: Chem. 2003, 159, 127.
3. Lalevée, J.; Allonas, X.; Fouassier, J. P. J. Am. Chem. Soc. 2002, 124, 9613.
4. Lalevée, J.; Genêt, S.; Allonas, X.; Fouassier. J. P. J. Am. Chem. Soc. 2003, 125, 9377.
5. Allonas, X.; Lalevée, J.; Fouassier, J. P. In Photoinitiated Polymerization; Belfield, K. D., Crivello, J. V., Eds.; ACS Symposium Series 847; American Chemical Society: Washington, DC, 2003; Chapter 12, p 140.
6. Fischer, H.; Radom, L. Angew. Chem., Int. Ed. 2001, 40, 1340.
7. Fischer, H. In Free Radicals in Biology and Environment; Minisci, Ed.; Kluwer Academic Publishers: 1997.
8. Heberger, K.; Lopata, A. J. Org. Chem. 1998, 63, 8646.
9. Shaik, S. S.; Shurki, A. Angew. Chem., Int. Ed. Engl. 1999, 38, 586.
10. Avila, D. V.; Ingold, K. U.; Lusztyk, J.; Dolbier, W. R.; Pan, H. Q. J. Am. Chem. Soc. 1993, 115, 1577.
11. Weber, M.; Khudyakov, I.; Turro, N. J. J. Phys. Chem. A 2002, 106, 1938.
12. Lalevée, J.; Allonas, X.; Fouassier, J. P. J. Phys. Chem. A 2004, 108, 4326.
13. Lalevée, J.; Allonas, X.; Fouassier, J. P. J. Org. Chem. 2005, 70, 814.
14. Fouassier, J. P. Photoinitiation Photopolymerization and Photocuring; Hanser Publishers: Munich, Germany, and New York, 1995.
15. Parr, R. G.; Pearson, R. G. J. Am. Chem. Soc. 1983, 105, 7512.
16. Gaussian 98, Revision A.11. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian, Inc.: Pittsburgh, PA, 2001.
17. Schnabel, W. In Lasers in Polymer Science and Technology: Applications; Fouassier, J. P., Rabek, J., Eds.; CRC Press: Boca Raton, FL, 1990; Vol. 2, p 95.
18. Colley, C. S.; Grills, D. C.; Besley, N. A.; Jockusch, S.; Matousek, P.; Parker, A. W.; Towrie, M.; Turro, N. J.; Gill, P. M. W.; George, M. W. J. Am. Chem. Soc. 2002, 124, 14952.
19. Wong, M. W.; Pross, A.; Radom, L. J. Am. Chem. Soc. 1994, 116, 6284.
20. Weber, M.; Fischer, H. H. Helv. Chim. Acta 1998, 81, 770.
21. Beckwith, A. L. J.; Poole, J. S. J. Am. Chem. Soc. 2002, 124, 9489.
22. Heberger, K.; Lopata, A. J. Chem. Soc., Perkin Trans. 2 1995, 91.
23. TS also correlates with the published values of e. This can be accounted for by the fact that the properties of the monomers govern both the addition of initiating and propagating radicals.