Abstract
It has been established that the photoinduced process observed in EPR and in optical absorption spectra for 1,4-dithiane radical cations in the CF3CCl3 matrix at 77 K can be ascribed to a “boat”—“twist boat” conformational transition.
Similar content being viewed by others
References
Ushida, K., Shida, T., and Shimokoshi, K., J. Phys. Chem. A, 1989, vol. 93, no. 14, p. 5388.
Momose, T., Suzuki, T., and Shida, T., Chem. Phys. Lett., 1984, vol. 107, p.568.
Aebischer, J.N., Bally, T., Roth, K., Haselbach, E., Gerson, F., and Qin, X.Z., J. Am. Chem. Soc., 1989, vol. 111, no. 20, p. 7909.
Xiao, H-Y., Cao, J., Liu, W-H., Fang, H., Tachikawa, H., and Shiotani, M., J. Phys. Chem. A, 2007, vol. 111, p. 5192.
Melnikov, M.Ya., Marushkevich, K.I., Baranova, I.A., Mel’nikova, O.L., and Tyurin, D.A., High Energy Chem., 2003, vol. 37, no. 2, p.96.
Sorokin, I.D., Melnikova, O.L., Pergushov, V.I., Tyurin, D.A., Feldman, V.I., and Melnikov, M.Ya., High Energy Chem., 2012, vol. 46, no. 3, p.183.
Sorokin, I.D., Feldman, V.I., Melnikova, O.L., Pergushov, V.I., Tyurin, D.A., and Melnikov, M.Ya., Mendeleev Commun., 2011, vol. 21, no. 3, p.153.
Sorokin, I.D., Feldman, V.I., Melnikova, O.L., Pergushov, V.I., Tyurin, D.A., and Melnikov, M.Ya., Mendeleev Commun., 2011, vol. 21, no. 3, p.155.
Gooden, R. and Brauman, J.I., J. Am. Chem. Soc., 1982, vol. 104, p. 1483.
Asmus, K.-D., Bahnemann, D., Bonifačić, M., and Gillis, H.A., Faraday Discuss. Chem. Soc., 1977. V. 63. P.213.
Sweigart, D.A. and Turner, D.W., J. Am. Chem. Soc., 1972, vol. 94, p. 5599.
Miller, W.T., Fager, E.W., and Griswald, P.H., J. Am. Chem. Soc., 1950, vol. 72, no. 2, p. 705.
Vorobiev, A.Kh. and Chumakova, N.A., Simulation of rigid-limit and slow-motion EPR spectra for extraction of quantitative dynamic and orientational information, in Nitroxides—Theory, Experiment and Applications, Kokorin, A.I., Ed., INTECH: Rijeka, 2012, p. 57.
Schaefer, A., Horn, H., and Ahlrichs, R., J. Chem. Phys., 1992, vol. 97, p. 2571.
Ishida, K., Morokuma, K., and Komornicki, A., J. Chem. Phys., 1977, vol. 66, p. 2153.
Neese, F., J. Chem. Phys., 2005, vol. 122, p. 034107.
Ganyushin, D. and Neese, F., J. Chem. Phys., 2013, vol. 138, p. 104113.
Barone, V., Cimino, P., and Stendardo, E., J. Chem. Theory Comput., 2008, vol. 4, no. 5, p. 751.
Sinnecker, S., Rajendran, A., Klamt, A., Diedenhofen, M., and Neese, F., Russ. J. Phys. Chem. A, 2006, vol. 110, p.2235.
Farazdel, A. and Dupuis, M., J. Comput. Chem., 1991, vol. 12, no. 2, p. 276.
Maeda, S., Ohno, K., and Morokuma, K., J. Chem. Theor. Comput., 2010, vol. 6, no. 5, p. 1538.
Ivanic, J. and Ruedenberg, K., Theor. Chem. Acc., 2001, vol. 106, no. 5, p.339.
Dunning, T.H., J. Chem. Phys., 1971, vol. 55, p. 716.
McLean, A.D. and Chandler, G.S., J. Chem. Phys., 1980, vol. 72, p. 5639.
Neese, F., Wiley Interdiscip. Rev., Comput. Mol. Sci., 2012, vol. 2, no. 1, p. 73.
Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.H., Koseki, S., Matsunaga, N., Nguyen, K.A., Su, S., et al., J. Comput. Chem., 1993, vol. 14, p. 1347
Gordon, M.S. and Schmidt, M.W., Advances in Electronic Structure Theory: GAMESS a Decade Later. In Theory and Applications of Computational Chemistry: The First Forty Years, Dykstra, C.E., Frenking, G., Kim, K.S., Scuseria, G.E., Eds., Elsevier: Amsterdam, 2005, p. 1167.
Clennan, E.L., Hightower, S.E., and Greer, A., J. Am. Chem. Soc., 2005, vol. 127, p. 11819.
Bonazzola, L., Michaut, J.P., and Roncin, J., Can. J. Chem., 1988, vol. 66, p.3050.
Sadovnichy, V., Tikhonravov, A., Voevodin, V., and Opanasenko, V., “Lomonosov”: Supercomputing at Moscow State University. In contemporary High Performance Computing: From Petascale Toward Exascale (Chapman & Hall/CRC Computational Science), CRC Press: Boca Raton, USA, 2013, p. 283.
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © I.D. Sorokin, O.I. Gromov, V.I. Pergushov, M.Ya. Melnikov, 2016, published in Khimiya Vysokikh Energii, 2016, Vol. 50, No. 5, pp. 382—387.
The article was translated by the authors.
Rights and permissions
About this article
Cite this article
Sorokin, I.D., Gromov, O.I., Pergushov, V.I. et al. 1,4-dithiane radical cations in the CF3CCl3 matrix: Photoisomerization mechanism. High Energy Chem 50, 362–367 (2016). https://doi.org/10.1134/S0018143916050155
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0018143916050155