Issue 0, 1978

Molecular dynamics of polystyrene model molecules. Conformational energy and ultrasonic relaxation of 2,4,6-triphenylheptane

Abstract

Conformational energies have been calculated for isotactic, syndiotactic and heterotactic 2,4,6-triphenylheptane, giving the most likely states and the conformational paths between them. The ultrasonic attenuation of these compounds has been investigated as a function of temperature and frequency. A single relaxation is observed for isotactic and syndiotactic isomers and has been assigned to isomerism between the helix tg+tg+(or gtgt) and the transition form gttg+ for the isotactic, and between tttt and ttg+g+(or ggtt) conformations for the syndiotactic isomer. Two relaxation processes were needed for the heterotactic isomer, each involving one part of the molecule; the rotational isomerism of the meso diad is between gttt (or tg+tt) and tttt conformations, while the racemic diad involves a relaxation between gttt and gtg+g+ conformations.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1978,74, 445-455

Molecular dynamics of polystyrene model molecules. Conformational energy and ultrasonic relaxation of 2,4,6-triphenylheptane

B. Froelich, B. Jasse, C. Noël and L. Monnerie, J. Chem. Soc., Faraday Trans. 2, 1978, 74, 445 DOI: 10.1039/F29787400445

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