DFT studies of gas-phase reaction mechanism of coordinatively unsaturated W(CO)5 with NO

The DFT calculations suggested that, in the gas phase coordination of NO to W(CO)5, a simple coordination to form W(CO)5(NO) did not occur but the following sequential concerted reactions occur: W(CO)5 + NO → [W(CO)5(NO)∗ (-CO)] → W(CO)4(NO)(+NO) →  [W(CO)4(NO)2 (−CO)] → W(CO)3(NO)2.