Table 2

(a) Pseudotransition metal family (Zn, Cd) interacting with methane. Relative energies (kcal mol−1) of the reactants, intermediate HXCH3, and final products for three lowest states of the metals.

M: metal Zna Cdb (1S, 3P, 1P) (1S, 3P, 1P) M(2nd) + CH4 133.7 ~141 124.9 125.6 M(1st) + CH4 93.4 ~94 89.3 84.9 H + MCH3 ~93 67.9 HM + CH3 ~82 56.6 HMCH3 ~25 31.9c M(gs) + CH4 0 0 0 0

aFrom [80] bFrom [86] cFrom [95].

(b) Pseudotransition metal family (Zn, Cd, Hg) interacting with silane. Relative energies (kcal mol−1) of the reactants, the HXSiH3 intermediary and final products for threelowest states of these metals.

M: metal Zna Cdb Hgb (1S, 3P, 1P) (1S, 3P, 1P) (1S, 3P, 1P) M(2nd) + SiH4 133.7 141 124.9 128.5 154.6 157.6 M(1st) + SiH4 93.4 93.8 89.3 84.4 119.5 114.6 H + MSiH3 84 89.0 95.4 HM + SiH3 70.4 74 74 75.5 83.33 87.6 HMSiH3 11.5 20.7 28.0 M(gs) + SiH4 0 0 0 0 0 0

aFrom [9] bFrom [10].

(c) Pseudotransition metal family (Cd, Hg) interacting with germane. Relative energies (kcal mol−1) of the reactants, the HXGeH3 intermediary, and final products for three lowest states of these metals.

X: metal Cda Hga (1S, 3P, 1P) (1S, 3P, 1P) X(2nd) + GeH4 124.9 128.5 154.6 157.6 X(1st) + GeH4 89.3 84.4 119.5 114.6 H + XGeH3 79.9 87.7 HX + GeH3 68.9 70.3 75.3 80.0 HXGeH3 13.6 21.0 X(gs) + GeH4 0 0 0 0

aFrom [10] bFrom [93].