The reaction of ground-state atomic oxygen [O( 3 P 2 )] with methyl, ethyl, n-propyl and isopropyl radicals has been studied using the density functional method and the complete basis set model. The energies of the reactants, products, reaction intermediates and various transition states as well as the reaction enthalpies have been computed. The possible product channels and the reaction pathways are identified in each case. In the case of methyl radical the minimum energy reaction pathway leads to the products CO + H 2 + H. In the case of ethyl radical the most facile pathway leads to the products, methanal + CH 3 radical. For propyl radical (n-and iso-), the minimum energy reaction pathway would lead to the channel containing ethanal + methyl radical.
Rotational structure in the A-X system of the indium monobromide molecule has been studied with moderately high resolution. Five bands, namely (2, 0), (1, 0), (0, 0) (0, 1) and (0, 2), were rotationally analysed and rotational constants were determined in the A and the X states for both the isotopic molecules In 79Br and In 81Br. Predissociation has been observed at J=134 in the upsilon =2 level of the A 3 Pi 0 state. This gives an upper limit to the dissociation energy of the InBr molecule of 3.5 eV.
An extensive study of the available spectroscopic information on four gallium monohalides has been conducted. The literature survey extends to early 2003 and the experimental and theoretical data on the molecular constants for the ground state, as well as for the excited states of these molecules, is presented. A brief discussion on the spectroscopic properties of different electronic states, ionization potentials, ground state dissociation energies, and percentage ionic character are given. The Rydberg–Klein–Rees potentials for the electronic states and centrifugal distortion constants for the observed vibrational levels for the electronic states of GaX (X=F, Cl, Br, and I) are also presented.
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