Abstract
By theoretical calculations applying DFT and MP2 methods a study was performed of mono- and disubstituted trifluoromethanesulfonamides CF3SO2NR1R2 and CF3SO2NHR1 (R1,R2 = CH=C=CH2, CH2C≡CH, C≡CCH3) in comparison with the corresponding amines NHR1R2, NH2R1 and imines CF3SO2N=R3, HN=R3 (R3 = CH-CH=CH2, C=CH-CH3). The calculation results were compared with experimental data.
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Ushakova, I.V. and Shainyan, B.A., Russ. J. Org. Chem., 2013, vol. 49, p. 924.
Shainyan, B.A. and Ushakova, I.V., Russ. J. Org. Chem., 2014, vol. 50, p. 1093.
Shainyan, B.A. and Danilevich, Yu.S., Russ. J. Org. Chem., 2013, vol. 49, p. 922.
Zhang, W., Liu, N., Schienebeck, C.M., Zhou, X., Izhar, I.I., Guzei, I.A., and Tang, W., Chem. Sci., 2013, vol. 4, p. 2652.
Shainyan, B.A. and Danilevich, Yu.S., Russ. J. Org. Chem., 2013, vol. 49, p. 1112.
Shainyan, B.A. and Danilevich, Yu.S., Russ. J. Org. Chem., 2014, vol. 50, p. 747.
Shainyan, B.A., Chipanina, N.N., Oznobikhina, L.P., and Danilevich, Yu.S., J. Phys. Org. Chem., 2013, vol. 26, p. 653.
Shainyan, B.A. and Danilevich, Yu.S., Russ. J. Org. Chem., 2015, vol. 51, p. 601.
Kobychev, V.B., Vitkovskaya, N.M., Klyba, N.S., and Trofimov, B.A., Russ. Chem. Bull., 2002, vol. 51, p. 774.
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G.A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H.P., Izmaylov, A.F., Bloino, J., Zheng, G., Sonnenberg, J.L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J.A., Peralta, J.E., Ogliaro, F., Bearpark, M., Heyd, J.J., Brothers, E., Kudin, K.N., Staroverov, V.N., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J.C., Iyengar, S.S., Tomasi, J., Cossi, M., Rega, N., Millam, J.M., Klene, M., Knox, J.E., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Martin, R.L., Morokuma, K., Zakrzewski, V.G., Voth, G.A., Salvador, P., Dannenberg, J.J., Dapprich, S., Daniels, A.D., Farkas, O., Foresman, J.B., Ortiz, J.V., Cioslowski, J., and Fox, D.J., Gaussian 09. Revision A.01, Gaussian Inc., Wallingford, CT, 2009.
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Original Russian Text © B.A. Shainyan, 2015, published in Zhurnal Organicheskoi Khimii, 2015, Vol. 51, No. 5, pp. 627–631.
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Shainyan, B.A. Mono- and disubstituted highly unsaturated trifluoromethanesulfonamide derivatives. Theoretical analysis. Russ J Org Chem 51, 605–609 (2015). https://doi.org/10.1134/S1070428015050024
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DOI: https://doi.org/10.1134/S1070428015050024