From the present study, it is concluded that by employing an appropriate carbene in this study) molecular nitrogen may be sequestered and converted to ammonia by the successive reduction process. Carbene acts as a σ-acceptor and π-donor in this process. The electronic level investigation proclaimed that the bonding and the back bonding processes are not instantaneous. These two processes occur at different stages of the reaction. The bonding takes place before reaching the transition state while the back bonding occurs after the transition state which implies that these two processes are independent of each other.