Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety

Abstract

Small organic molecules based on the unnatural DNA base pair dTPT3 are designed and synthesized, among which compounds bearing the thiocarbonyl group, compared with their carbonyl counterparts, show a much larger SOC integral between S₁(¹nπ*) and T₁(³ππ*) states due to the appropriate energy level alignment and the heavy sulfur atom effect, resulting in the appearance of both fluorescence and phosphorescence in solution and solid state at room temperature.