Structure of coumarin 120, 1, 480 (102).
Structure of coumarin 152, 152A, 522, 153, 307, and 151.
excitation energy (, eV), oscillator strength , and transition dipole moment for coumarin derivatives compared with experiment. The values in parentheses and brackets are computed with the and the aug-cc-pVTZ basis sets, respectively.
TPA cross section (in GM, using ) and excited state maximum (in parentheses) for C120. Experimental TPA cross section of (not a maximum value) measured at in ethanol, (Ref. 16); experimental TPA cross section of (not a maximum value) measured at in water (Ref. 18).
Ground and excited state dipole moments (in D) and TPA cross sections for C120 using the two-state approximation.
Computed maximum TPA cross section (in GM, using ) and corresponding transition energy (in parentheses) compared with the experiment. Single “” denotes “not a maximum value.”
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