Solvent‐Driven Conformational Landscapes of a Tetradentate Schiff Base Ligand and Its Metal Complexes: A Genetic Algorithm–Guided VCD Investigation
Amanda Nhi Tran, Mutasem Alshalalfeh, Colton D. Carlson, Andra Aniţa Radu, Vlad Ţeposu, Joseph Cheramy, Lili Zeng, Hui Zhang, Valentin Paul Nicu, Yunjie Xu · 2026
Read Solvent‐Driven Conformational Landscapes of a Tetradentate Schiff Base Ligand and Its Metal Complexes: A Genetic Algorithm–Guided VCD Investigation by Amanda Nhi Tran, Mutasem Alshalalfeh, Colton D. Carlson, Andra Aniţa Radu, Vlad Ţeposu, Joseph Cheramy, Lili Zeng, Hui Zhang, Valentin Paul Nicu, Yunjie Xu (2026) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-13505726.txt.
Description
Amanda Nhi Tran and co-authors study how solvent choice reshapes a chiral Schiff base ligand and its metal complexes in a 2026 paper. Salen ligands are a flexible base for asymmetric catalysis, and their shape in solution affects how their complexes steer reactions. The team focused on one ligand and its copper and nickel complexes.
Using vibrational circular dichroism and infrared spectroscopy, backed by wide conformational searches and DFT calculations, they found a striking contrast. Chloroform strongly altered the free ligand's shape mix but left the metal complexes largely unchanged. Infrared spectra missed the effect, while the VCD spectra caught it. A genetic algorithm approach and cluster modeling explain how weak solvent contacts tip this delicate balance.
Catalog record
| CREATOR | Amanda Nhi Tran, Mutasem Alshalalfeh, Colton D. Carlson, Andra Aniţa Radu, Vlad Ţeposu, Joseph Cheramy, Lili Zeng, Hui Zhang, Valentin Paul Nicu, Yunjie Xu |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 43 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |