RT Journal Article
T1 NMR spectral fingerprint patterns as diagnostics for the unambiguous configurational analysis of the classic organo‐gelator 1,3: 2,4‐dibenzylidene‐
 d ‐sorbitol (DBS) and its derivatives
A1 Sánchez Pedregal, Víctor M.
A1 Kertesz, Miklos
A1 Weiss, Richard G.
A1 Navarro Vazquez, Armando Juan
A1 Cid Fernández, María Magdalena
K1 2306.18 Estructuras de las Moléculas Orgánicas
AB On the basis of experimental data and density functional theory (DFT) chemical shift and scalar coupling predictions, simple spectral nuclear magnetic resonance (NMR) fingerprint patterns have been established for the determination of the configuration in 1,3:2,4-dibenzylidene-d-sorbitol (DBS), a classic low molecular weight gelator, and its derivatives. The results rigorously prove the orientation of the phenyl rings in DBS that had been previously assumed in the literature on the basis of thermodynamic arguments.
PB Magnetic Resonance in Chemistry
SN 07491581
YR 2021
FD 2021-04-27
LK http://hdl.handle.net/11093/5793
UL http://hdl.handle.net/11093/5793
LA eng
NO Magnetic Resonance in Chemistry, 59(6): 608-613 (2021)
NO Conselho Nacional de Desenvolvimento Científico e Tecnológico | Ref. 311683/2019‐3
DS Investigo
RD 18-sep-2024