The 13C nuclear magnetic resonance substituent chemical shifts of 2-substituted indenes. Interpretation by a multivariate data analysis method
- 1 January 1981
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 2,p. 403-408
- https://doi.org/10.1039/p29810000403
Abstract
The 13C n.m.r. chemical shifts of several 2-substituted indenes are reported and the induced substituent shieldings of the remote proton-bearing aromatic carbons are analysed by a multivariate data analysis method. A dual parameter model is necessary to describe the shift variations and the two components obtained were found to correlate to a mesomeric σR° and field–inductive σI scale, respectively. The two dual parameter models are tested on a structurally similar heterocyclic system. The limitations of multiparameter equations in predicting 13C chemical shifts and in separating electronic effects are briefly discussed.Keywords
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