| Autor: |
Mato, Sergio, Aguado, Raúl, Mata, Santiago, Alonso, José Luis, León, Iker |
| Zdroj: |
Physical Chemistry Chemical Physics (PCCP); 10/21/2022, Vol. 24 Issue 39, p24032-24038, 7p |
| Abstrakt: |
Sulfanilamide, a widely used antibacterial drug, has been brought into the gas phase using laser ablation techniques, and its structure has been characterized in the isolated conditions of a supersonic expansion using Fourier transform microwave techniques. A single conformer stabilized by an N–H⋯O＝S intramolecular interaction in an equatorial disposition has been unequivocally characterized. To emulate the microsolvation process, we studied its hydrated cluster. The results show that a single water molecule alters the conformational preference and forces sulfanilamide to switch from its initial eclipsed configuration to a staggered disposition. The observed hydrated cluster adopts a structure in which water forms three hydrogen bonds with sulfanilamide stabilizing the molecule. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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