Gas??phase reactivity of protonated 2??oxazoline derivatives: mass spectrometry and computational studies

R Vessecchi, JC Tomaz, GP Santos…

Index: 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

Full Text: HTML

Citation Number: 2

Abstract

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 ...

Related Articles:

Condensed Oxaziridine-Mediated [3+ 2] Cycloaddition: Synthesis of Polyhetero-bicyclo Compounds

[Videtta, Valeria; Perrone, Serena; Rosato, Francesca; Alifano, Pietro; Tredici, Salvatore M.; Troisi, Luigino Synlett, 2010 , # 18 p. 2781 - 2783]

More Articles...