THE STRUCTURE AND BONDING OF Tc(CO)_3(H_2O)_3~+ AND SOME OF ITS DERIVATIVES

The structure and bonding of Tc(CO) 3(H 2O) 3 + and some of its derivatives are calculated by using ab initio MO method.The trans influence of the coordinated CO in these molecules renders the trans coordinated H 2O,R 2S,thiophene,and aliphatic amines unable of being firmly bonded.However,the aromatic amines can form thermodynamically very stable complexes with fac Tc(CO) 3 core.