Gas??phase reactivity of protonated 2??oxazoline derivatives: mass spectrometry and computational studies
R Vessecchi, JC Tomaz, GP Santos…
文献索引：Vessecchi, Ricardo; Tomaz, Jose Carlos; Santos, Guilherme Purcote Dos; De Oliveira, Alfredo R. Marques; Lopes, Norberto Peporine; Clososki, Giuliano Cesar Rapid Communications in Mass Spectrometry, 2012 , vol. 26, # 9 p. 1061 - 1069
METHODS Mass spectrometric analyses were conducted in a quadrupole time-of-flight (Q- TOF) spectrometer fitted with electrospray ionization source. Protonation sites have been proposed on the basis of the gas-phase basicity, proton affinity, atomic charges, and a molecular electrostatic potential map obtained on the basis of the quantum chemistry calculations at the B3LYP/6-31+ G (d, p) and G2 (MP2) levels. RESULTS Analysis of the ...
