DUAL SUBSTITUENT PARAMETER TREATMENT OF C-13 SUBSTITUENT CHEMICAL-SHIFTS IN 5-SUBSTITUTED 2-THENYLIDENEMALONONITRILES AND MOLECULAR-ORBITAL THEORETICAL-ANALYSIS AT THE CNDO/2 LEVEL
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abstract
DSP treatment of 13C SCS among the members of the title compound indicated the dominance of the resonance effect at C and the presence of both localized and extended polarization in the side chain. MO calculations at the CNDO/2 level corroborated the observed SCS trends. 1986.