Abstract
A new method of analysis of high-resolution NMR spectra was suggested, and an algorithm and the PAREMUS program package for assignment of patterns of the spectral components based on pattern recognition theory were developed. High effectiveness of the method has been exemplified by determination of the values and relative signs of the interring1H−1H and13C−1H spin-spin coupling constants in 1,2,3-trichloronaphthalene.
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References
S. M. Castellano and A. A. Bothner-By,J. Chem. Phys., 1964,41, 3863.
A. A. Bothner-By and S. M. Castellano, inComputer Progress for Chemistry, Ed. D. F. De Taar, New York, Benjamin, 1968,1, 10.
J. Heinzer,J. Magn. Res., 1977,26, 301.
D. S. Stephenson and G. Binsch,J. Magn. Res., 1980,37, 395.
D. S. Stephenson and G. Binsch,J. Magn. Res., 1980,37, 409.
R. L. Laatikainen,J. Magn. Res., 1991,92, 1.
S. S. Golotvin and V. A. Chertkov,12th European NMR Conference, Oulu, Finland, 1994, Abstracts, 295.
E. G. Jurner and W. P. Wynne,J. Chem. Soc., 1941, 243.
K. R. Bedford, G. W. Burton, and P. B. De la Mare,Tetrahedron Lett., 1973,334, 3205.
J. T. Tou and R. C. Gonzales,Pattern Recognition Principles, Addison-Wesley Publishing Company Inc., London, 1974.
P. Diehl, S. Sycora, and J. Vogt,J. Magn. Res., 1975,19, 67.
C. Shannon and W. Weaver,The Mathematical Theory of Communication, Urbana, University of Illinois Press, 1949, 149.
M. Attimonelli and O. Sciacovelli,Org. Magn. Reson., 1980,13, 277.
H. Günter, NMR-Spectroskopie, Georg Thieme Verlag, Stuttgart, 1973.
R. R. Ernst, G. Bodenhausen, and A. Wokaun,Principles of Nuclear Magnetic Resonance in One and Two Dimensions, Clarendon Press, Oxford, 1987.
V. A. Chertkov, Yu. K. Grishin, and N. M. Sergeyev,J. Magn. Res., 1976,24, 275.
V. A. Chertkov and Yu. K. Grishin,Zh. Strukt. Khim., 1977,18, 776 [J. Struct. Chem., 1977,18 (Engl. Transl.)].
R. L. Laatikainen,J. Magn. Res., 1988,78, 127.
B. L. Van der Waerden,Mathemathische Statistik, Springer Verlag, Berlin, 1974.
M. Attimonelli and O. Sciacovelli,Org. Magn. Reson., 1977,9, 601.
M. Attimonelli and O. Sciacovelli,Org. Magn. Reson., 1980,13, 277.
P. E. Hansen,Progress in NMR Spectroscopy, 1981,14, 175.
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya. No. 3, pp. 444–451, March, 1997.
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Golotvin, S.S., Chertkov, V.A. Pattern recognition of the multiplet structure of NMR spectra. Russ Chem Bull 46, 423–430 (1997). https://doi.org/10.1007/BF02495389
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DOI: https://doi.org/10.1007/BF02495389