Convenient Solvatochromic Probes for the Determination of Solvent Properties: β-Carotene and 2-Chloro-7-nitro-9H-fluorene

A Database of Dispersion-Induction DI, Electrostatic ES, and Hydrogen Bonding α1 and β1 Solvent Parameters and Some Applications to the Multiparameter Correlation Analysis of Solvent Effects

“…Second, for newly designed solvents the determination of DI, that is the measurement of the refractive index of a liquid, is much easier than that of SP. Indeed, the determination of this scale requires the use of a polyene obtained through a laborious multistep synthesis …”

“…22 However, the determination of Catalań's parameters for new solvents is not straightforward, since it requires no less than eight solvatochromic probes and since the synthesis of some of these probes is difficult or costly. 23 This is rather unfortunate because of the growing interest in the design of new solvents for green chemistry and the corresponding necessity to characterize easily these neoteric solvents by empirical parameters. 24 We therefore propose here a third way to the empirical quantification of solute/solvent interactions with the main objective to determine solvent parameters by simple, but nevertheless proper, methods.…”

“…For example, SP is based on the first electronic transition energy of a polyene (ttbP9) and SdP on the difference between the first electronic transition energies of two nitrofluorenes . However, the determination of Catalán’s parameters for new solvents is not straightforward, since it requires no less than eight solvatochromic probes and since the synthesis of some of these probes is difficult or costly . This is rather unfortunate because of the growing interest in the design of new solvents for green chemistry and the corresponding necessity to characterize easily these neoteric solvents by empirical parameters …”

“…Indeed, the determination of this scale requires the use of a polyene obtained through a laborious multistep synthesis. 23 Electrostatic Parameter ES (Non-HBD Solvents). Additionally to dispersion and induction, non-HBD solvents with permanent multipole moments interact with the solute by electrostatic forces (e.g., solute permanent dipole/solvent permanent dipole or solute permanent dipole/solvent permanent quadrupole).…”