Table 1. Experimental Values Used as Reference in This Study (in eV)a.
| molecule | solvent | 0–0 | ref | molecule | solvent | 0–0 | ref |
|---|---|---|---|---|---|---|---|
| I | cyclohexane | 4.56 | (60) | XLI | ethanol | 4.13 | (60) |
| II | methanol | 2.48 | (80) | XLII | ethanol | 3.78 | (60) |
| III | water | 3.46 | (56) | XLIII | n-hexane | 3.55 | (60) |
| IV | hexane | 3.50 | (61) | XLIV | toluene | 2.18 | (68) |
| V | ethanol | 2.98 | (54) | XLV | cyclohexane | 3.30 | (60) |
| VI | dioxane | 3.53 | (71) | XLVI | cyclohexane | 2.63 | (78) |
| VII | benzene | 2.92 | (81) | XLVII | chloroform | 2.23 | (92) |
| VIII | cyclohexane | 1.89 | (89) | XLVIII | tetrahydrofuran | 3.12 | (99) |
| IX | ethanol | 3.10 | (53) | XLIX | cyclohexane | 3.61 | (73) |
| X | benzene | 2.85 | (53) | L | cyclohexane | 3.26 | (60) |
| XI | dichloromethane | 1.95 | (60) | LI | ethanol | 1.74 | (60) |
| XII | 2-methyl-butane | 3.18 | (79) | LII | dichloromethane | 2.33 | (106) |
| XIII | cyclohexane | 2.76 | (77) | LIII | dichloromethane | 2.53 | (106) |
| XIV | cyclohexane | 3.11 | (70) | LIV | chloroform | 2.15 | (90) |
| XV | dichloromethane | 2.85 | (76) | LV | chloroform | 2.03 | (90) |
| XVI | toluene | 2.30 | (87) | LVI | methanol | 3.28 | (108) |
| XVII | ethanol | 2.53 | (60) | LVII | dichloromethane | 2.88 | (91) |
| XVIII | dichloromethane | 1.95 | (84) | LVIII | tetrahydrofuran | 2.99 | (95) |
| XIX | ethanol | 2.18 | (53) | LIX | tetrahydrofuran | 2.33 | (95) |
| XX | benzene | 2.29 | (53) | LX | tetrahydrofuran | 3.08 | (97) |
| XXI | chloroform | 3.29 | (63) | LXI | ethanol | 2.63 | (109) |
| XXII | dichloromethane | 3.13 | (105) | LXII | ethanol | 3.00 | (109) |
| XXIII | acetonitrile | 2.99 | (85) | LXIII | hexane | 3.33 | (102) |
| XXIV | 2-methyl-butane | 2.98 | (62) | LXIV | benzene | 2.16 | (60) |
| XXV | chloroform | 1.71 | (75) | LXV | dichloromethane | 2.53 | (103) |
| XXVI | ethanol | 2.02 | (55) | LXVI | dichloromethane | 2.38 | (83) |
| XXVII | chloroform | 3.15 | (64) | LXVII | tetrahydrofuran | 2.82 | (93) |
| XXVIII | dimethylformamide | 2.33 | (86) | LXVIII | acetonitrile | 3.32 | (96) |
| XXIX | dichloromethane | 2.24 | (88) | LXIX | dichloromethane | 2.85 | (91) |
| XXX | ethanol | 2.65 | (66) | LXX | tetrahydrofuran | 2.51 | (100) |
| XXXI | dioxane | 2.12 | (72) | LXXI | tetrahydrofuran | 3.44 | (100) |
| XXXII | dichloromethane | 3.25 | (69) | LXXII | toluene | 3.19 | (111) |
| XXXIII | tetrahydrofuran | 3.57 | (101) | LXXIII | acetontrile | 3.10 | (98) |
| XXXIV | acetontrile | 2.76 | (82) | LXXIV | methanol | 3.31 | (94) |
| XXXV | carbontetrachloride | 2.28 | (59) | LXXV | methanol | 2.61 | (94) |
| XXXVI | hexane | 2.72 | (74) | LXXVI | tetrahydrofuran | 2.75 | (104) |
| XXXVII | dimethyl sulfoxide | 3.08 | (60) | LXXVII | dimethyl sulfoxide | 2.00 | (58) |
| XXXVIII | toluene | 2.64 | (67) | LXXVIII | chloroform | 2.60 | (107) |
| XXXIX | dimethylformamide | 2.76 | (65) | LXXIX | ethanol | 1.84 | (110) |
| XL | toluene | 1.83 | (57) | LXXX | dichloromethane | 2.67 | (112) |
a
Molecules are depicted in Schemes 1–4. The 0–0 energies are the crossing point between the absorption and fluorescence curves (see Introduction).