6.9 Experimental Section
187
Fig. 6.23 UV/vis absorption (black solid line), excitation (green dotted line, λ em = 397 nm), and
emission spectra (green solid line, λ ex = 338 nm) of 2 in CHCl 3 (c = 1.5 × 10 −6 M) at room
temperature. The solution of 2 in CHCl 3 exhibited very weak emission under UV light
Fig. 6.24 Comparison of experimental and theoretical studies on emission properties of the crystal 1. Excitation spectra of the crystal 1 (black solid line) obtained at 195 K. Simulated UV/vis
absorption spectra of the dimer in the crystal 1 (black dashed line) and oscillator strengths (blue
sticks) based on the singlet state TD-DFT calculations of the dimer with no rotated phenyl ring
rotor derived from the single crystalline structures of 1 measured at 193 K (B3LYP/SDD)
187
Fig. 6.23 UV/vis absorption (black solid line), excitation (green dotted line, λ em = 397 nm), and
emission spectra (green solid line, λ ex = 338 nm) of 2 in CHCl 3 (c = 1.5 × 10 −6 M) at room
temperature. The solution of 2 in CHCl 3 exhibited very weak emission under UV light
Fig. 6.24 Comparison of experimental and theoretical studies on emission properties of the crystal 1. Excitation spectra of the crystal 1 (black solid line) obtained at 195 K. Simulated UV/vis
absorption spectra of the dimer in the crystal 1 (black dashed line) and oscillator strengths (blue
sticks) based on the singlet state TD-DFT calculations of the dimer with no rotated phenyl ring
rotor derived from the single crystalline structures of 1 measured at 193 K (B3LYP/SDD)