| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1405830 | Journal of Molecular Structure | 2012 | 4 Pages |
Abstract
⺠4-(Trichlor)butan-2-one at RHF/6-31G(d) and MP2/6-31G(d) were calculated. ⺠The structure with pentacoordinated Ge atom is energetically more profitable. ⺠The calculations are used for estimation of NQR parameters at the 35Cl nuclei. ⺠Polarization of GeCl and CO bonds at rapprochement of Ge and O atoms occurs. ⺠In structure with pentacoordinated Ge, electron transfer from O to Ge does not occur.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
V.P. Feshin, E.V. Feshina,