The nitrobenzene derivatives 1,2-nitrotoluene, 1,3-nitrotoluene, 1,2-fluoronitrobenzene, 1,3-fluoronitrobenzene, 1,4-fluoronitrobenzene, 1,2-chloronitrobenzene, 1,3-chloronitrobenzene and 1,4-chloronitrobenzene are investigated by means of Electron Transmission Spectroscopy (ETS), Dissociative Electron Attachment Spectroscopy (DEAS) and Negative Ion Mass Spectrometry (NIMS). The observed energies of electron attachment to p* MOs were interpreted with the support of the empty level structures of the neutral molecules supplied by HF/6-31G and B3LYP/6-31G* calculations. In the chlorine-substituted derivatives three main long-lived negative ions (NIs) (M-, Cl-, and NO2-) are observed, only M- and NO2- in the other investigated compounds. The detection of the metastable NIs corresponding to the process M*Ó → R- + (M-R)· suggests that the molecular NIs formed near thermal electron energy dissociate on a microsecond timescale. Mean autodetachment lifetimes of the molecular NIs as a function of electron energy are evaluated.
N.L. Asfandiarov, S.A. Pshenichnyuk, V.G. Lukin, I.A. Pshenichnyuk, A. Modelli, Š. Matejčik (2007). Temporary anion states and dissociative electron attachment to nitrobenzene derivatives. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 264, 22-37 [10.1016/j.ijms.2007.03.013].
Temporary anion states and dissociative electron attachment to nitrobenzene derivatives.
MODELLI, ALBERTO;
2007
Abstract
The nitrobenzene derivatives 1,2-nitrotoluene, 1,3-nitrotoluene, 1,2-fluoronitrobenzene, 1,3-fluoronitrobenzene, 1,4-fluoronitrobenzene, 1,2-chloronitrobenzene, 1,3-chloronitrobenzene and 1,4-chloronitrobenzene are investigated by means of Electron Transmission Spectroscopy (ETS), Dissociative Electron Attachment Spectroscopy (DEAS) and Negative Ion Mass Spectrometry (NIMS). The observed energies of electron attachment to p* MOs were interpreted with the support of the empty level structures of the neutral molecules supplied by HF/6-31G and B3LYP/6-31G* calculations. In the chlorine-substituted derivatives three main long-lived negative ions (NIs) (M-, Cl-, and NO2-) are observed, only M- and NO2- in the other investigated compounds. The detection of the metastable NIs corresponding to the process M*Ó → R- + (M-R)· suggests that the molecular NIs formed near thermal electron energy dissociate on a microsecond timescale. Mean autodetachment lifetimes of the molecular NIs as a function of electron energy are evaluated.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
