RT info:eu-repo/semantics/article
T1 Pyridine–acetaldehyde, a molecular balance to explore the n→π*interaction
A1 Blanco Rodríguez, Susana
A1 Macario Farto, Alberto
A1 López Alonso, Juan Carlos
K1 Espectroscopía de rotación
K1 Quimica
K1 Quimica Fisica
K1 pyridine - acetaldehyde
K1 rotational spectroscopy
K1 structure
K1 n - pi interaction
K1 conformational equilibria
K1 23 Química
K1 2301.13 Espectroscopia de Microondas
K1 2307 Química Física
AB The complex pyridine–acetaldehyde is formed through an n->pi* interaction and a C‐H∙∙∙O contact. The acetaldehyde methyl group internal rotation induces a phase‐locked intermolecular oscillation along the Bürgi‐Dunitz coordinate. Surprisingly, this sort of molecular balance extracts energy through the n->pi* interaction to reduce the size of the internal rotation barrier.
PB Royal Society of Chemistry
SN 1463-9076
YR 2019
FD 2019
LK http://uvadoc.uva.es/handle/10324/46376
UL http://uvadoc.uva.es/handle/10324/46376
LA spa
NO Physical Chemistry Chemical Physics, 2019, 21, 20566-20570
NO Producción Científica
DS UVaDOC
RD 24-abr-2024