摘要
The chlorocarbenoid , CHCl2Li , was studied by means of ab initio molecular or- bital theory. Three equilibrium structures and two isomerization transition states were located. The calculations showed that the three-membered ring structure is the most stable. The 'classical tetrahedral' structure is not the local minimum on the potential energy surface.
The chlorocarbenoid , CHCl2Li , was studied by means of ab initio molecular or- bital theory. Three equilibrium structures and two isomerization transition states were located. The calculations showed that the three-membered ring structure is the most stable. The 'classical tetrahedral' structure is not the local minimum on the potential energy surface.
