Anomeric effects involving silicon centres: silanols
Abstract
Ab initio calculations at the HF/6-31G*(and in some cases MP2/6-31G*)//3-21G(*) level on H4-nSi(OH)n(n= 0–4) species show that significant anomeric (negative hyperconjugation) stabilizations occur at silicon centres; in contrast, π-bonding with silicon 3d orbitals is a minor effect.