Synthesis, Crystal Structure, and Photoluminescence Properties of One Novel D-pi-D Type alpha-Cyanostilbene Derivative

Researches on alpha-cyanostilbene derivatives demonstrated them to be promising ATE or AIEE structural molecules and potential photoelectric materials. One novel alpha-cyanostilbene derivative, namely (E)-2-(4-butoxypheny1)-3-(4-(diethylamino)phenyl)acrylonitrile (BPDPA), has been designed, synthesized and characterized. The crystalline structure of BPDPA has been studied in detail. The single-crystal X-ray diffraction revealed BPDPA crystallizes in triclinic space group P (1) over bar, with a = 12.860(5), b = 13.327(5), c = 15.016(5) angstrom, alpha = 72.650(5), beta = 66.969(5), gamma = 62.897(5)degrees, M-r = 696.95, V = 2085.6(13) angstrom(3), Z = 2, D-c = 1.110 g/cm(-3), mu = 0.068 mm(-1), F(000) = 752, R-int = 0.0264, R (I > 2 sigma(I)) = 0.0649, wR (I > 2 sigma(I) = 0.1724, R (all data) = 0.1321, wR (all data) = 0.2158, completeness to theta = 25.00 is 99.4% and GOF = 1.067. Like most reported alpha-cyanostilbene derivatives, BPDPA possesses a somewhat twisted molecular structure. UV-Vis and FL measurements showed an obviously bathochromic effect of BPDPA with increasing the polarity of the solvents.