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Conformational analysis and simulation of the structures of diisobutylsilanediol and dihydroxytetraalkyldisiloxanes and their analogs [R2(HO)Si]2X (X = CH2, S), precursors of liquid-crystalline phases

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Abstract

Molecular mechanics studies of structure formation in condensed phases of [R2(HO)Si]2X (X = CH2 (dihydroxydicarbosilanes) and X = S (dihydroxydisilthians)) compounds have been performed and the results have been compared with those obtained for previously known columnar mesophases of [R2(HO)Si]2O (R = Et and Pr) (dihydroxydisiloxanes). Conformational analysis demonstrates the similarity in structure and cross-linking of dihydroxydisiloxanes and dihydroxydicarbosilanes and the difference between these compounds and dihydroxydisilthians. This allows the conclusion that for dihydroxydicarbosilanes the columnar mesophase formed by H-associates can occur. Simulation of dimeric and trimeric H-associates for (Bui)2Si(OH)2, which belong to the same class of mesophases, has been performed.

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Authors and Affiliations

  1. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation

    K. Yu. Suponitskii, T. V. Timofeeva & Yu. T. Struchkov

Authors
  1. K. Yu. Suponitskii
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  2. T. V. Timofeeva
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  3. Yu. T. Struchkov
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Additional information

Deceased in August, 1995.

Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1711–1715, September, 1995.

This work is supported by the International Science Foundation (Grant MP5 000).

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Suponitskii, K.Y., Timofeeva, T.V. & Struchkov, Y.T. Conformational analysis and simulation of the structures of diisobutylsilanediol and dihydroxytetraalkyldisiloxanes and their analogs [R2(HO)Si]2X (X = CH2, S), precursors of liquid-crystalline phases. Russ Chem Bull 44, 1643–1647 (1995). https://doi.org/10.1007/BF01151283

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  • DOI: https://doi.org/10.1007/BF01151283

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