Conclusions
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1.
The previously proposed method makes it possible to validly describe the deviation of the chemical shift from additivity in a qualitative manner.
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2.
It is possible to assume with a high degree of accuracy that the average excitation energy is additive for the BCl3−nFn series.
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3.
The effect of deviations of the average excitation energy from additivity is substantial in the BCl3-n·Brn series.
Literature cited
S. P. Ionov and G. V. Ionova, Zh. Fiz.Khim.,43, 2730, 825 (1969).
W. G. Anderson and E. F. Mooney, Ann. Rev. of NMR Spectros.,2, 219 (1969).
M. Karplus and T. P. Das, J. Chem. Phys.,34, 1688 (1961).
M. E. Schwartz and L. C. Allen, J. Am. Chem. Soc.,92, 1466 (1970).
D. R. Armstrong and P. Q. Perkins, Chem. Commun.,15, 337 (1965).
K. Kh. Tauns and A. L. Shavlov, Microwave Spectroscopy [in Russian], IL (1959).
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 11, pp. 2584–2586, November, 1971.
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Lyubimov, V.S., Ionov, S.P. Electronic structure and nuclear magnetic resonance spectra of boron compounds. Russ Chem Bull 20, 2455–2456 (1971). https://doi.org/10.1007/BF00854337
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DOI: https://doi.org/10.1007/BF00854337