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The  13 C NMR chemical shifts of fifteen 6 substituted 2,3-dihydro-1,4-diazepinium salts (cis trimethincyanines) (1) and twelve 2 substituted bis(dimethylamino)trimethinium salts (trans trimethincyanines) (2) have been determined. A comparison of the substituentinduced shifts ( 13 C SCS) of 1 and 2 allows no distinction between steric and electronic effects. In the three 6 п-electron systems 1, 2 and monosubstituted benzenes the  13 C SCS are similar for the substituent bearing carbon atoms. A surprisingly large  4 J FCCNC  coupling constant has been observed.

zeitschrift für naturforschung b

Substituenteneinflüsse auf die  13 C–NMR-chemischen Verschiebungen cis- und trans-konfigurierter Trimethincyanine / Substituent Effects on the  13 C NMR Chemical Shifts of Trimethincyanines with cis and trans Configuration