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Volume 31
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This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
Article

Preferential Solvation of Zwitterionic Benzo-[f]-Quinolinium Ylids in Binary Solvent Mixtures: Spectral Study and Quantum Chemical Calculations

by
Mihaela Iuliana Avadanei
1,*,
Ovidiu Gabriel Avadanei
2 and
Dana Ortansa Dorohoi
2
1
Petru Poni Institute of Macromolecular Chemistry, 41A Gr. Ghica Voda Alley, 700487 Iasi, Romania
2
Faculty of Physics, Alexandru Ioan Cuza University, 11 Carol I Blvd, 700506 Iasi, Romania
*
Author to whom correspondence should be addressed.
Molecules 2026, 31(2), 290; https://doi.org/10.3390/molecules31020290
Submission received: 3 December 2025 / Revised: 30 December 2025 / Accepted: 8 January 2026 / Published: 13 January 2026
(This article belongs to the Section Analytical Chemistry)
Versions Notes

Abstract

Three derivatives of benzo-[f]-quinolinium ylids, which all underwent an intermolecular charge transfer process, were used as solvatochromic indicators to study the specific solvent–solute interactions in binary mixtures of protic–aprotic solvents with different molar ratios. The microenvironment around the solute molecules was observed via electronic absorption spectroscopy and was analyzed by employing solvation models and quantum chemical calculations. The spectral analysis suggested that the solute was preferentially solvated by the polar protic solvent, indicating a lack of synergy between the two solvents. The solvation microsphere was progressively occupied by the protic solvent, on the basis of specific solute–solvent interactions. By modeling the 1:2 (solute-coordinating solvent) complexes with explicit solvents, the binding energy for complex formation was estimated.
Keywords: negative solvatochromism; binary mixtures; preferential solvation; zwitterionic ylids; intermolecular hydrogen bonding negative solvatochromism; binary mixtures; preferential solvation; zwitterionic ylids; intermolecular hydrogen bonding

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MDPI and ACS Style

Avadanei, M.I.; Avadanei, O.G.; Dorohoi, D.O. Preferential Solvation of Zwitterionic Benzo-[f]-Quinolinium Ylids in Binary Solvent Mixtures: Spectral Study and Quantum Chemical Calculations. Molecules 2026, 31, 290. https://doi.org/10.3390/molecules31020290

AMA Style

Avadanei MI, Avadanei OG, Dorohoi DO. Preferential Solvation of Zwitterionic Benzo-[f]-Quinolinium Ylids in Binary Solvent Mixtures: Spectral Study and Quantum Chemical Calculations. Molecules. 2026; 31(2):290. https://doi.org/10.3390/molecules31020290

Chicago/Turabian Style

Avadanei, Mihaela Iuliana, Ovidiu Gabriel Avadanei, and Dana Ortansa Dorohoi. 2026. "Preferential Solvation of Zwitterionic Benzo-[f]-Quinolinium Ylids in Binary Solvent Mixtures: Spectral Study and Quantum Chemical Calculations" Molecules 31, no. 2: 290. https://doi.org/10.3390/molecules31020290

APA Style

Avadanei, M. I., Avadanei, O. G., & Dorohoi, D. O. (2026). Preferential Solvation of Zwitterionic Benzo-[f]-Quinolinium Ylids in Binary Solvent Mixtures: Spectral Study and Quantum Chemical Calculations. Molecules, 31(2), 290. https://doi.org/10.3390/molecules31020290

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