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WHY Tecl4 is more stable than Scl4

6 years ago


Answers : (1)

										Structural and conformational properties of the tetrahalides MX4with M = S,Se,Teand X =F,Cl,Br, I were studied with quantum chemical calculations (MP2/aug-cc-pVTZ and relativistic core potentials for heavy atoms). The pseudotrigonal bipyramidal geometries (C2vsymmetry) of the three tetrafluorides and ofTeCl4, whose structures have been determined by gaselectron diffraction, are very well reproduced with this computational method. No additional stable conformer withC3v,CS,C4vorTdsymmetry is predicted for these fourchalcogentetrahalides. For all other MX4compounds, except SeI4, the existence of two conformers withC2vandTdsymmetry is predicted. TheTdstructure is favoured in the case of SI4andSeBr4and SeI4is predicted to exist only asTdconformer.

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Askiitians Faculty
2 years ago

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