Spectroscopic study on charge transfer molecular complexes of pyrazole derivatives with some pi-electron acceptors.

Charge transfer molecular complexes of some pyrazole donors (pyrazole, 4-methylpyrazole, 3-methylpyrazole and 3,5-dimethylpyrazole) with 2,3-dichloro-5,6-dicyano-1,4-p-benzoquinone and tetracyanoethylene as pi-electron acceptors have been studied in CH2Cl2 at 25 degrees C. Spectral characteristics and stability constants of the formed charge transfer (CT) complexes are discussed in terms of the nature of donor and acceptor molecular structure, as well as in relation to solvent polarity. Thermodynamic parameters (deltaH, deltaG and deltaS) associated with CT complex formation are also examined. It was concluded that the formed CT complexes are of n-pi type with 1:1 (D:A) composition.