Abstract
Structure-property relationships of conjugated organic compounds are governed by three fundamental principles, the triad principle, the energy principle, and the bonding principle, which enable chemists to design new substances with given properties. Especially color and constitution relationships are understood by five basic color rules which states that polymethine-like compounds absorb at much longer wavelengths than aromatic or polyene-like compounds of the same size. Further strong red-shift necessitates perturbation of the unique alternation of the n-electron densities in polymethines. As the intended red-shifts are compensated through aromatization and polyene formation such effects have to be excluded in molecular engineering of NIR dyes.
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