Abstract
The quantum chemical calculations for N2O4 complexes with some electron-donor molecules: CH3NO2, CH3COOH, CH3CN, C6H6 and with another molecule of N2O4 show that the donor molecule lies under the N2O4 plane and its electron-donor atom points to the center of N-N bond of N2O4 (or near this center). The electron charge is transferred from the donor to N2O4 molecule, mostly to the N-N bond of N2O4.
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References
C. C. Addison and J. C. Sheldon,J. Chem. Soc. 1941 (1956), 2705 (1956), 2709 (1956).
K. Miaskiewicz and Z. Kecki,J. Solution Chem. 14, 665 (1985).
C. C. Addison, J. C. Sheldon, and B. C. Smith,J. Chem. Soc. Dalton Trans. 999 (1974).
C. C. Addison and B. C. Smith,J. Chem. Soc. 1783 (1960).
C. C. Addison and J. C. Sheldon,J. Chem. Soc. 1937 (1957).
C. C. Addison and B. C. Smith,J. Chem. Soc. 3664 (1958).
C. C. Addison and J. C. Sheldon,J. Chem. Soc. 3142 (1958).
M. R. Peterson and R. A. Poirier,Monstergauss Program, Department of Chemistry, University of Toronto.
W. J. Hehre, R. F. Stewart, and J. A. Pople,J. Chem. Phys. 51, 2657 (1969).
E. R. Davidson and D. Feller,Chem. Rev. 86, 681 (1986).
P. Pulay, G. Fogarasi, F. Pang, and J. E. Boggs,J. Am. Chem. Soc. 101, 2550 (1979).
H. B. Schlegel,J. Comput. Chem. 3, 214 (1982); P. Pulay,Application of Electronic Structure Theory, H. F. Schaefer, ed., (Plenum Press, New York, 1977).
R. S. Mulliken,J. Chem. Phys. 23, 1983 (1955).
C. C. Addison,Chem. Rev. 80, 21 (1980).
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Miaskiewicz, K., Kęcki, Z. N2O4 complexes with electron donor molecules. An STO-3G study. J Solution Chem 18, 1095–1104 (1989). https://doi.org/10.1007/BF00647266
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DOI: https://doi.org/10.1007/BF00647266