Structure and 35Cl NQR parameters of 1,3-diphenyl-3-methyl-3-(trichlorogermyl)butanone-1 using ab initio calculations
Quantum-chemical calculations at the RHF/6-31G(d) and MP2/6-31G(d) levels of two stable structures of 1,3-diphenyl-3-methyl-3-(trichlorogermyl)butanone-1 molecule were executed. According to calculations at the RHF/6-31G(d) level, the structure with pentacoordinated Ge atom is by 7.49 kJ/mol energe...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
De Gruyter
2012-12-01
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| Series: | Main Group Metal Chemistry |
| Subjects: | |
| Online Access: | https://doi.org/10.1515/mgmc-2012-0048 |