## Abstract **Summary:** A comparison between the crystal structure of isotactic __cis__‐1,4‐poly(1,3‐pentadiene) previously predicted by molecular mechanics calculations and that successively determined by other authors by experimental data is reported. The agreement between the two structures is
On the Crystal Structure of cis-1,4-Poly(2,3-dimethyl-1,3-butadiene)
✍ Scribed by Beniamino Pirozzi; Roberto Napolitano; Vittorio Petraccone; Simona Esposito
- Publisher
- John Wiley and Sons
- Year
- 2003
- Tongue
- English
- Weight
- 149 KB
- Volume
- 24
- Category
- Article
- ISSN
- 1022-1336
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✦ Synopsis
Abstract
Models for the crystal structure of cis‐1,4‐poly(2,3‐dimethyl‐1,3‐butadiene) are elucidated by the joint use of molecular mechanics and WAXS. The chain conformation can be predicted by using different sets of potential functions. A model of crystal structure calculated by molecular mechanics has been refined in order to find the best accordance with the experimental X‐ray powder spectra. Another model is proposed to explain a few minor discrepancies between the calculated and the experimental WAXS powder spectra.
Portion of the chain of cis‐PDMBD, containing two monomer units with indications of the symmetry elements of the tci line repetition group, and of the bond and torsion angles of the backbone, which are independent variables.
magnified imagePortion of the chain of cis‐PDMBD, containing two monomer units with indications of the symmetry elements of the tci line repetition group, and of the bond and torsion angles of the backbone, which are independent variables.
📜 SIMILAR VOLUMES
The crystal and molecular structures of a pair of diastereomeric 2-diphenylthiophosphinoylcis-(4,6-dimethyl)-1,3-dithianes 2 have been determined by the X-ray method. The differences in corresponding bond distances in cis-2 and trans-2 are discussed in context of the anomeric effect operating in thi
## Abstract __cis__ and __trans__ Configuration of monomeric units in 1,4‐poly(2,3‐dimethyl‐1,3‐butadiene), poly(1,2‐dimethyl‐1‐butenylene), has been determined by ^13^C NMR spectroscopy.