title: The mechanism of pyrolysis of benzyl azide: spectroscopic evidence for benzenemethanimine formation.
abstract: We study the gas-phase pyrolysis of benzyl azide (BA, C6H5CH2N3) using ultraviolet photoelectron spectroscopy (UVPES) and matrix-isolation infrared (IR) spectroscopy, together with electronic structure calculations and Rice-Ramsperger-Kassel-Marcus (RRKM) calculations. It is found that BA decomposes via N2 elimination at ca. 615 K, primarily yielding benzenemethaninime. Other end products include HCN and C6H6. N-Methyleneaniline is not detected, although its formation at higher temperature is foreseen by RRKM calculations.
authors.forename: Rui M
authors.initials: RM
authors.lastname: Pinto
authors.forename: Mauro
authors.initials: M
authors.lastname: Guerra
authors.affiliation: §Department of Chemistry, The University of Southampton, Southampton SO17 1BJ, U.K.
authors.forename: Grant
authors.initials: G
authors.lastname: Copeland
authors.affiliation: ∥Faculty of Chemistry, "Al. I. Cuza" University of Iasi, 11 Carol I, 700506, Iasi, Romania.
authors.forename: Romeo I
authors.initials: RI
authors.lastname: Olariu
authors.affiliation: ⊥ITQB, Instituto de Tecnologia Química e Biológica, Universidade Nova de Lisboa, 2780-901 Oeiras, Portugal.
authors.forename: Paula
authors.initials: P
authors.lastname: Rodrigues
authors.forename: M Teresa
authors.initials: MT
authors.lastname: Barros
authors.forename: M Lourdes
authors.initials: ML
authors.lastname: Costa
authors.forename: António A
authors.initials: AA
authors.lastname: Dias