Imidometallanes and their heavy analogs: rich gas phase chemistry of ring and cluster compounds

Thermodynamic properties of the group 13–15 pnictidometallanes [HMYH]n (M=Al, Ga, In; Y=N, P, As; n=1–16) have been predicted at the B3LYP/LANL2DZ(d,p) level of theory. Process of the gas phase generation of [HMYH]n clusters is favorable thermodynamically at low temperatures. Al and N-containing clusters are predicted to be exceptionally stable. Spontaneous generation of [RMYH]n oligomers with n=12–14 is expected during chemical vapor deposition processes at low temperature-high pressure conditions.