Structure and Properties of Germanium [n]-Prismanes GeH: A Quantum Chemical Study

Using the B3LYP/6-311+G(df,p) method, the stability limits of germanium prismanes GeH were studied and it was shown that the prismane configurations are stable up to n = 15, while with a further increase in n, a distortion of the prismatic structure is observed. The greatest stability is demonstrated by 5-germanprismane GeH, while the remaining members of the series show a progressive decrease in stability with increasing n. Germanium systems are characterized by lower stress energy, lower binding energy, and lower formation enthalpy compared to carbon and silicon systems, with the trends in the main characteristics corresponding to those observed for carbon and silicon derivatives.