The germyl cations F2Ge(SH)(+), FGe(SH)(2)(+) and Ge(SH)(3)(+) were obtained from ionized mixtures of GeF4 and H2S. Ion trap mass spectrometry revealed the occurrence of three consecutive addition-HF elimination reactions between GeF3+, F2Ge(SH)(+) and FGe(SH)(2)(+) and H2S. The structure and the mechanism of formation of the observed FnGe(SH)(3-n)(+) (n = 0-2) were investigated by ab initio calculations performed at the MP2 and coupled cluster level of theory. It was also possible to note regular trends in the geometries and Lewis acidities of the FnGe(SH)(3-n)(+) (n = 0-3).
Germyl cations with Ge-S bonds: an experimental and theoretical study on the gaseous FnGe(SH)3-n+ (n=0-2)
ANTONIOTTI, Paola;BENZI, Paola;OPERTI, Lorenza;RABEZZANA, Roberto;
2012-01-01
Abstract
The germyl cations F2Ge(SH)(+), FGe(SH)(2)(+) and Ge(SH)(3)(+) were obtained from ionized mixtures of GeF4 and H2S. Ion trap mass spectrometry revealed the occurrence of three consecutive addition-HF elimination reactions between GeF3+, F2Ge(SH)(+) and FGe(SH)(2)(+) and H2S. The structure and the mechanism of formation of the observed FnGe(SH)(3-n)(+) (n = 0-2) were investigated by ab initio calculations performed at the MP2 and coupled cluster level of theory. It was also possible to note regular trends in the geometries and Lewis acidities of the FnGe(SH)(3-n)(+) (n = 0-3).
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