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A) Experimental UV–vis absorption spectra of ETMI and DETMI in MeCN (c = 1 × 10−4 m), B) Calculated UV/vis absorption spectra of ETMI and DETMI, by using B3LYP/6‐31G*/CPCM/MeCN method with Gaussian 09 program. C,D) Structures and energy levels of HOMO and LUMO of C) ETMI and D) DETMI calculated by using B3LYP/6‐31G*/CPCM/MeCN method with Gaussian 09 program. Purple: nitrogen atom; yellow: sulfur atom; red: oxygen atom; cyan: carbon atom; white: hydrogen atom.
