REACTIONS OF GERMANIUM(II) HALIDES WITH AMMONIA |
| 3 | |
| 2013 |
| CHEMISTRY |
| scientific article | 546.25 + 546.289 | ||
| 84-90 | quantum-chemical method, QCISD(T), B3LYP, germylene, ammonolysis, insertion reaction, singlet, triplet, activation energy, transient state. |
| Gas-phase ammonolysis of GeL
2 (L = H, F, Cl and Br) has been systematically studied using modern quantum-chemical methods QCISD(T) and B3LYP. Two possible mechanisms are considered of GeL
2 insertion into N-H sigma-bond: three-centered synchronous and free-radical «break-recombination». The latter is a typical one for triplet germylenes. HL
2GeNH
2, HLGeNH, L
4Ge
2H
2, and HL have been found to be ammonolysis end-products. Calculations have shown that the first stage of the process produces a stable complex |
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