title: Real-time mechanistic monitoring of an acetal hydrolysis using ultrafast 2D NMR.
abstract: Ultrafast (UF) 2D NMR makes it possible to obtain a 2D NMR spectrum in less than a second. Here, UF-HSQC experiments are used for the real-time mechanistic study of an acetal hydrolysis at ¹³C natural abundance, and it is possible to characterize the presence of the hemiacetal, an intermediate with a well-known short lifetime. The assignments are confirmed and rationalized by quantum calculations of ¹H and ¹³C NMR chemical shifts and natural bonding orbital analysis.
authors.affiliation: Laboratório de Ressonância Magnética Nuclear, Departamento de Química, Universidade Federal de São Carlos (UFSCar), São Carlos, SP, Brazil. professorkeng@gmail.com
authors.forename: Luiz H K
authors.initials: LH
authors.lastname: Queiroz
authors.forename: Patrick
authors.initials: P
authors.lastname: Giraudeau
authors.forename: Fabiane A B
authors.initials: FA
authors.lastname: dos Santos
authors.forename: Kleber T
authors.initials: KT
authors.lastname: de Oliveira
authors.forename: Antonio G
authors.initials: AG
authors.lastname: Ferreira
mesh_terms: D000080:Acetals / Q000737:chemistry*; D006868:Hydrolysis; D009682:Magnetic Resonance Spectroscopy / Q000592:standards; D012015:Reference Standards; D013997:Time Factors
chemical_list: D000080:Acetals