Packard 5890 chromatograph with FID detector equipped
with a 25 m capillary column of 5% crosslinked phenylmethyl-
silicone) and GC-MS (Varian Saturn II, same column as GC)
by comparison with an authentic sample.
18 P. S. Lakkaraju, D. Zhou and H. D. Roth, J. Chem. Soc., Perkin
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Calculations
1
Models and methodology. Calculations were carried out using
2
45
the GAUSSIAN94 suite of programs. They were performed on
a Convex SPP 1000. All structures were optimized without
symmetry constraints by two different methods of calculations:
i) Hartree–Fock self-consistent field, and ii) electronic correl-
ation by density functional theory methods (DFT), using
the B3LYP model. All calculations were performed using the
23 A. C. Archer and P. A. Lovell, Polymer, 1995, 36, 4315.
24 K. Yamamoto, E. Tsuchida, H. Nishida, S. Yoshida and Y. S. Park,
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5 E. Tsuchida, K. Yamamoto and H. Nishide, J. Macromol. Sci.,
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6 E. Tsuchida, K. Yamamoto, M. Jikei, E. Shouji and H. Nishide,
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27 M. Wejchanjudek and B. Perkowskaspiewak, Polym. Degrad. Stab.,
1995, 48, 131.
2
46
2
47
48
6
-31G* basis set which has d-type polarisation functions on
non-hydrogen atoms. The energies and geometries of the rad-
ical cations were calculated using open shell configurations.
2
2
3
8 K. Oyaizu, N. Iwasaki, K. Yamamoto, H. Nishide and E. Tsuchida,
Bull. Chem. Soc. Jpn., 1994, 67, 1456.
9 K. Yamamoto, K. Oyaizu and E. Tsuchida, Macromol. Chem. Phys.,
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994, 195, 3087.
Acknowledgements
Thanks are due to the Generalidad Valenciana for a scholarship
0 J. E. Wertz and J. L. Vivo, J. Am. Chem. Soc., 1955, 77, 2193.
31 K. Yamamoto, M. Jikei, J. Katoh, H. Nishide and E. Tsuchida,
(
V. M.) and to the Spanish Ministry of Education for a post-
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2 G. Jones, II and B. Huang, Tetrahedron Lett., 1993, 269.
3 G. Jones, II, B. Huang and S. F. Griffin, J. Org. Chem., 1993, 58,
2
3
3
doctoral fellowship (L. F.). H. D. R. gratefully acknowledges
the 1997 IBERDROLA Award.
035.
3
3
4 V. P. Shiralkar and A. Clearfield, Zeolites, 1989, 9, 363.
5 F. L. Cozens, R. Bogdanova, M. Régimbald, H. García, V. Martí
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