Structure and conformation in molecular peroxides |
| |
Authors: | Christopher Glidewell |
| |
Affiliation: | Chemistry Department, University of St. Andrews, St. Andrews, Fife KY 16 9ST Gt. Britain |
| |
Abstract: | Molecular structures and energies have been calculated in the MINDO approximation for fifteen neutral and anionic peroxides: fully optimized torsional potential functions have been calculated for twelve of these, and torsional potential functions, subject to constrained optimizations, for a further two peroxides. Bond dissociation energies D(R1O—OR2) were also calculated. Equilibrium structures and energies were calculated for the polyoxo species H2On, HOnF, F2On, HOn and FOn (n ? 4), and a complete set of bond dissociation energies derived for H2On, HOnF, and F2On. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|