Bond function parameter transferability in SO2, SF2 and SO2F2
β Scribed by P.G. Burton; N.R. Carlsen
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 440 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Ab initio MO studies of thc use ofgaussian bond functions yi the molecules SOz, SF2 and SO2 & are presen ted. It is shown that optimization of bond Function exponent and position parameters in the small molecules is a good approximation to the optimum parameter set for SOaF2 1. Zntruduction
π SIMILAR VOLUMES
## Abstract Localized valence molecular orbitals have been obtained for SO, SO~2~F~2~, ClO~3~F and SOCl~2~ by the method due to Boys and Foster. The bonding in these molecules, in which the second row atom is exhibiting an excess valency, is discussed in terms of the form of these localized orbital
The formation of SF + , SF 2 + , SO + and SO 2 + fragment ions from dissociative ionization of the SO 2 F 2 molecule has been studied by means of a trochoidal electron velocity selector coupled to a mass spectrometer. The ionization efficiency curves of ions were measured and their appearance energi