| Abstract | Singular-value decomposition (SVD) method is a numerical multidimensional technique appropriate for evaluation
of optical absorption measurements of 1:1 charge transfer complexes (CTCs). Matrix algebra of the absorption data for
different solutions and wavenumbers is primarily used for evaluation of the equilibrium constant and to obtain some
general expressions to illustrate physical significance of the results obtained. The influence of the ratio of the
concentrations of donor and acceptor is examined. It can lead to information about the stoichiometry of the complex
formed in solution. Calculations on data for CTCs between dimethoxynaphthalene (DMNs) and tetracyanoethylene
(TCNE) in CH2Cl2 at various temperatures are described. The results suggest that there is a noticeable difference in the
K4, caused by substitutions at a- and b-positions, because the a-position of naphthalene exhibits relatively high electron
density compared with the corresponding b-position. There is a linear correlation between the donor HOMO energy
and charge-transfer absorption maxima. |