Novel gaseous transient species: Generation and characterization

Abstract

Due to special properties of transient species, such as short-lived, unstable, reactive, and even explosive, the generation and subsequent characterization is a great challenge for experimental chemists. In our laboratory, systematic researches have been carried out to investigate novel transient species: reactive halogen species (RHS), short-lived free radicals, and metastable pseudohalogen compounds, based on the successive technical improvements on the HeI Photoelectron spectroscopy (PES). In this review, the topic mainly focuses on innovative methods of generating novel transient species, and subsequent geometric and electronic structure characterizations of these species combined with quantum chemical calculations.reactive halogen species, radicals, pseudohalogen compounds, HeI Photoelectron Spectroscopy (PES), quantum chemical calculations

The Expanding Role of Electrospray Ionization Mass Spectrometry for Probing Reactive Intermediates in Solution

“…The experimental determination of reaction intermediates has traditionally relied on spectroscopic approaches usually including ultraviolet-visible absorption (UV), nuclear magnetic resonance (NMR), Raman, electron spin resonance (ESR), and infrared (IR) spectroscopies. For directly investigating short-lived species related to the chemical reaction, different sophisticated methods have been developed by using cryogenic matrix-spectroscopic techniques [ 7 ] or combining them with some special procedures like pulse radiolysis/flash photolysis (fast detection in real time based on high power light pulses), matrix isolation (stabilization by chemical trapping or low temperature) and flow systems (monitoring of steady-state intermediate concentration) [ 8 , 9 ]. Recently more fast spectroscopic methods based on high-speed (pico-through microsecond) spectroscopy have been proposed for directly observing the generation and decomposition of transient species in aqueous solution [ 10 , 11 ].…”

Photoelectron Spectroscopy and Ionic Fragmentation of OSeCl2 and Its Analogue OSCl2 under VUV Irradiation

“…The PE and PIM spectra were recorded within seconds of each other under identical conditions. Vertical ionization energies (IE) were calculated using the Symmetry Adapted Cluster/Configuration Interaction (SAC-CI) method 41,42 and the outer-valence Green's function (OVGF) calculations. 43 All calculations were performed with the Gaussian 03 quantum chemistry package and the 6-311+G(d) basis set.…”