1H‐ und 13C‐NMR‐spektroskopische Messungen und MO‐Berechnungen zur π‐Elektronenstruktur von p,p′‐disubstituierten trans‐Stilbenen und substituierten trans‐β‐Styryl‐methyl‐sulfonen

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Abstract
1H and 13C n.m.r. Spectroscopical Measurements and HMO‐π‐Calculations to the π‐Electronic Structure of p,p′‐Disubstituted trans‐Stilbenes and Substituted trans‐β‐Styryl‐methyl‐SulfonesThe 1H and 13C n.m.r. spectra have been measured for a series of donator‐acceptor‐disubstituted trans‐stilbenes 1 and monosubstituted β‐styryl‐methyl‐sulfones 2. The 13C n.m.r.‐signals have been identified by comparison with empirical calculated chemical shifts and quantum chemical determined HMO‐π‐electrons densities. The influence of substitutents to the experimental chemical shifts are discussed in detail. For 1 and 2 exist linear correlations between chemical shifts and HAMMETT values, and π‐electron densities, respectively.