Modelling 13C substituent chemical shifts in 3-aryl-2-cyanoacrylamides: an application of the dual-substituent parameter non-linear resonance (DSP-NLR) method

Bhattacharyya, Sankar P. ; De, Asish ; Chakravarty, Ajit K. ; Brunskill, John S. A. ; Ewing, David F. (1985) Modelling 13C substituent chemical shifts in 3-aryl-2-cyanoacrylamides: an application of the dual-substituent parameter non-linear resonance (DSP-NLR) method Journal of the Chemical Society, Perkin Transactions 2 (3). pp. 473-478. ISSN 0300-9580

Full text not available from this repository.

Official URL: http://pubs.rsc.org/en/content/articlelanding/1985...

Related URL: http://dx.doi.org/10.1039/P29850000473

Abstract

13C Substituent chemical shifts (SCS) in 3-phenyl- and 3-thienyl-2-cyanoacrylamides have been examined by multiple linear regression analysis using standard field parameters (σF) together with various resonance parameters. The side-chain SCS are best modelled by a method, DSP-NLR, which explicitly allows for a non-linear resonance response. A combination of polarization and resonance mechanisms accounts satisfactorily for substituent effects at all side-chain sites.

Item Type:Article
Source:Copyright of this article belongs to Royal Society of Chemistry.
ID Code:81936
Deposited On:08 Feb 2012 13:39
Last Modified:08 Feb 2012 13:39

Repository Staff Only: item control page