Cyclobutane-bicyclobutane system-6 An ab initio calculation of the preferred pathway for nucleophilic attack on bicyclobutane

The stereochemistry of the nucleophilic attack of H^- on bicyclobutane was studied by ab initio calculations of various possible pathways. Three directions of approach; axial, equatorial and sidewise, were examined by using split levels basis set. Relative to an axial or sidewise approach, the equatorial was found to be significantly favored.