ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Relationship between the  ¹³C NMR chemical shift and substituent effects in the series of meta- and para-substituted phenyl isothiocyanates

I. Danihel, P. Kristián, S. Böhm, and J. Kuthan

Department of Organic Chemistry and Biochemistry, Faculty of Natural Sciences, P. J. Šafárik University, CS-041 67 Košice

Abstract: ¹³C NMR  chemical shiftsof substituents (δ_r,s/ppm) in meta- or para--substituted phenyl isothiocyanates I and II were found to well correlate with calculated or empirically derived parameters of the substituent X.  Similar linear correlations with π and total at. charges Q_π/e, resp. Q_tot/e exhibit slopes of the magnitudes 195 to 640.

Full paper in Portable Document Format: 384a539.pdf

Chemical Papers 38 (4) 539–548 (1984)