By B3LYP/6-311 + + G (df, p) q uantum-chemical method studied the mechanism of the reactions of methyl isocyanate with monomer and linear dimer phenol and these interactions were compared with interactions with associates of methanol. All the above reactions proceed through a concerted asymmetric transition states.
водородная связь, ассоциаты, изоцианаты, механизм, hydrogen bond, cluster, isocyanates, mechanism
1. H. Kothandaraman, A.S. Nasar, R.K. Lakshmi. J.Appl.Polym.Sci, 53, 1, 31-38 (1994).
2. D.A.Wicks, Z.W. Wicks Prog.Org.Coating, 41, 1-3, 1083 (2001).
3. P.F. Yang, Y.D. Han, J.Y. Li, T.D. Li Int.J.Polym.Anal.Charact, 16, 4, 251-258 (2011).
4. L. Xu, C. Li, K.Y.S. Ng. J.Phys.Chem. A., 104, 17, 3952-3957 (2000).
5. Y.D. Han, P.F. Yang, J.Y. Li, C.D. Qiao, T.D. Li. React.Kinet.Mechan.Cat., 101, 1, 41-48 (2010).
6. P.F.Yang, Y.D.Han, T.D. L.i Adv.Mater.Res., 150-151, 23-26 (2011).
7. P.F. Yang, Y.D. Han, T.D. Li, J.Y. Li. J.Appl.Polym.Sci., 123, 1, 580-584 (2012).
8. R.G. Makitra, G.G.Midyana, E.Ya.Pal'chikova, A.V. Romanyuk. ZhOrH, 47, 1, 33-39 (2012).
9. A.-C. Draye, D.N. Tarasov, J.-J. Tondeur. React.Kinet.Catal.Lett., 66, 2, 199-204 (1999).
10. M.-Ch. Chang, S.-A. Chen. J.Polym.Sci. A: Polym.Chem., 25, 9, 2543-2559 (1987).
11. A.E. Oberth, R.S. Bruenner. J.Phys.Chem., 72, 3, 845-855 (1968).
12. S. Ephraim, A.E. Woodward, R.B. Mesrobian. J.Am.Chem.Soc., 80, 6, 1326-1328 (1958).
13. J.W. McFarland, D.J. J.W. J. Org. Chem., 35, 3, 704-706 (1970).
14. M. Kaplan. J. Chem. Eng. Data., 6, 2, 272-275 (1961).
15. R. Bacaloglu, L. Cotarca. J. Pract. Chem., 330, 4, 530-540 (1988).
16. F.H. Brock. J. Org. Chem., 24, 11, 1802-1804 (1959).
17. J.W. Farland, S.P. Gaskins J.Org.Chem., 37, 1, 99-102 (1972).
18. A.B. Lateef, J.A. Reeder, L. Rand. J.Org.Chem., 36, 16, 2295-2298 (1971).
19. G.Klopman. Reakcionnaya sposobnost' i puti reakciy. Mir, Moskva, 1977, 383 s.
20. Ya.D.Samuilov, E.N. Cherezova. Reakcionnaya sposobnost' organicheskih soedineniy. KGTU, Kazan', 2010, 420 s.
21. A.Ya. Samuilov, L.A. Zenitova, Ya.D. Samuilov, A.I. Konovalov. ZhOrH., 45, 1, 75-80 (2009).
22. A.Ya. Samuilov, F.B. Balabanova, Ya.D. Samuilov, A.I. Konovalov. ZhOrH., 48, 2, 179-180 (2012).
23. A.Ya. Samuilov, F.B. Balabanova, T.A. Kamalov, Ya.D. Samuilov, A.I. Konovalov. ZhOrH., 46, 10, 1450-1457 (2010).
24. Gaussian 09, Revision A.01, M.J. Frisch at all, Gaussian, Inc., Wallingford CT, 2009.
25. T. F. Shamsutdinov, D. V. Chachkov, E. V. Nikolaeva,A. G. Shamov, G. M. Hrapkovskiy. Vestnik Kazanskogo tehnologicheskogo universiteta., 2, 27-33 (2003).
26. A. A. Gimadeev, D. V. Chachkov, E. V. Sagadeev, V. P. Barabanov. Vestnik Kazanskogo tehnologicheskogo universiteta., 3, 7-10, (2009).
27. K. Fuke, H. Yoshiuchi, K. Kava. Chem.Phys.Lett., 108, 2, 79-184 (1984).
28. A.Ya. Samuilov, L.A. Zenitova, Ya.D. Samuilov, A.I. Konovalov. ZhOrH., 44, 9, 1332-1380 (2008).
29. A.Ya.Samuilov, Ya.D. Samuilov. Butlerovskie soobscheniya., 28, 19, 1-15 (2011).
30. Ya.D. Samuilov, A.I. Konovalov. Uspehi himii., 53, 4, 566-582 (1984).
