Molecular and electronic structure of disiloxane, an ab initio MO study
Abstract
The bond lengths and angels obtained by means of a 4-31G basis agree with electron diffraction data. The calculated SiOSi bending potential, showing a minimum for the linear arrangement, is discussed with regard to available experimental information. Calculated dipole moments and ionization potentials are also in reasonable agreement with experimental data. Comparison is made with STO-3G and INDO results which both overestimate the stability of cyclic structures.
- Publication:
-
Chemical Physics Letters
- Pub Date:
- September 1979
- DOI:
- 10.1016/0009-2614(79)80297-3
- Bibcode:
- 1979CPL....65..587S