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The limitations of generalization in sub-spectral analysis of N.M.R. spectra

 

作者: P. Diehl,   D. Trautmann,  

 

期刊: Molecular Physics  (Taylor Available online 1966)
卷期: Volume 11, issue 6  

页码: 531-539

 

ISSN:0026-8976

 

年代: 1966

 

DOI:10.1080/00268976600101361

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The method of obtaining sub-spectral transformations for N.M.R. spectra is reformulated so that the conditions and limitations of transformability become obvious. Explicit formulae forabnandabcsub-spectral transformations are given. It is proved that sub-patterns of energy levels of type (1 : 2 : 1) and (1 : 3 : 3 : 1) can always be transformed intoabandabcsub-spectra, whereas the pattern (1 : 2 : 4 : 2 : 1) does not necessarily correspond to the symmetrical part of anaa′bb′sub-spectrum. In spectra of the type AA′A′′A′′′XX′ the failure of the transformation method is shown to be due to the mixture of symmetry species products in the 4 × 4 matrix. The possibility of approximate sub-spectral transformations is discussed. An expansion of sub-spectral analysis to spectra of oriented molecules is indicated.

 

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