论文信息 - The Relationship between the Steric Hindrance and Absorption Spectrum of Fluoran Dyes. Part I

The Relationship between the Steric Hindrance and Absorption Spectrum of Fluoran Dyes. Part I

Abstract The steric hindrance at the 2-position of the fluoran ring and its influence on the electronic absorption spectrum were studied by semiemprical MO calculations. All fluoran dyes in this study gave two or more conformers by using structure optimization. Spectral changes and band shapes with respect to the steric hindrance of the amino group at the 2-position are discussed on the basis of calculations performed for a variety of conformations. A good correlation between the wavelengths of separated peaks and those of calculated peaks was obtained.

[1] Eamonn F. Healy,et al. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model , 1985 .

[2] W. Schoeller,et al. The donor strength of dialkylamino functions—A systematic study of δh/hmo π-electron density correlations in aminobenzenes , 1978 .

[3] Michael C. Zerner,et al. An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines , 1973 .

[4] C. P. Nash,et al. Carbon-13 Nuclear Magnetic Resonance Spectra of Some Aromatic Amines and Imines , 1964 .

[5] S. Tokita,et al. 13C NMR and Electronic Absorption Spectroscopic Studies on the Equilibrium between the Colorless Lactone and the Colored Zwitterion Forms of a Fluoran-Based Black Color Former , 1997 .