Sulphone Molecular Structures

1. Front Matter

   Pages I-VII

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2. Molecular Geometries

   1. Experimental determination of the molecular geometries

      • István Hargittai

      Pages 1-20

   2. The determined structures

      • István Hargittai

      Pages 20-81

3. Structural Variations

   1. Conformational properties

      • István Hargittai

      Pages 82-87

   2. Characteristic variations in the bond angles and bond lengths

      • István Hargittai

      Pages 87-112

   3. Comparison of analogous sulphone, sulphoxide, and sulphide geometries

      • István Hargittai

      Pages 113-125

   4. Geometrical variations in the rest of the molecule

      • István Hargittai

      Pages 125-138

   5. Correlation between geometric and vibrational parameters of the SO2 groups

      • István Hargittai

      Pages 138-156

4. Back Matter

   Pages 157-175

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Recently, the molecular structures of a relatively large number of sulphone compounds have been elucidated in the vapour phase by electron diffraction and microwave spectroscopy. The main purpose of these studies is the determination of the sulphur bond configuration and the conformational properties. This leads to the observation and correlation of characteristic structural variations as various ligands are attached to the S02 group and as comparisons are made with related molecules. Today it may be said that the structure of sulphone molecules is relatively well studied, and it appeared necessary to systematize the accumulated experimental data after critical considerations. This is done in the first part of this monograph. The second part presents the observed characteristic structural variations. Attempts are made to interpret these variations by valence shell electron pair repulsions and-non-bonded interactions. Correlation relationships between geometric and vibrational parameters are also presented. It is the metrical aspects of the molecular structure which are primarily considered. Since they correlate with other aspects of the molecular structure, e.g. electronic, it is hoped that the experimental information on the molecular geometry provides stim­ ulus for further experimental, and, in particular, theoretical work on sulphones and related systems. IV It is attempted to cover all electron diffraction and micro­ wave spectroscopic investigations on sulphone molecules to date. Admittedly, however, relatively larger weight is given to the electron diffraction studies originating from the author's own laboratory.

• Chemische Struktur
• Elektronenbeugung
• Mikrowellenspektroskopie
• Sulfon
• electrons
• spectroscopy

• Central Research Institute of Chemistry, Hungarian Academy of Sciences, Budapest, Hungary

  István Hargittai

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