Conclusions
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1.
Quantum-chemical calculations have been used to establish the nature of the effect of the solvent on the enthalpy of reaction and the activation barrier in the dissociation of N-phosphorylammonium cations and zwitterions.
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2.
It is shown that on passing from the gas phase to a polar solvent the strength of the phosphamide bond decreases in the cations, but increases in the zwitterions.
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V. F. Zarytova, Itogi Nauki. Tekh., Bioorg. Khim.,4, 102 (1984).
V. V. Pen'kovskii and I. E. Boldeskul, Teor. Éksp. Khim.,20, 198 (1984).
V. E. Klimenko, Teor. Éksp. Khim.,19, 612 (1983).
V. F. Zarytova, E. M. Ivanova, and V. P. Romanenko, Bioorg. Khim.,9, 516 (1983).
M. J. S. Dewar and W. Thiel, J. Am. Chem. Soc.,99, 4899 (1977).
A. Warshel, J. Phys. Chem.,83, 1640 (1979).
K. Ya. Burshtein, Zh. Strukt. Khim.,28, 3 (1987).
A. A. Bliznyuk and A. A. Voityuk, Zh. Strukt. Khim.,27, 190 (1986).
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 2, pp. 315–318, February, 1989.
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Mal'tseva, T.V., Voityuk, A.A. Quantum-chemical study of the effect of solvation on the strength of the phosphamide bond in N-phosphorylammonium cations and zwitterions. Russ Chem Bull 38, 267–270 (1989). https://doi.org/10.1007/BF00953611
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DOI: https://doi.org/10.1007/BF00953611