Related Experiment Video
Updated: Sep 2, 2025

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
Published on: September 26, 2016
Nonlinear optical properties DFT calculations of polyacethylene and copolymers models substituted with aldimines
Fatima-Zohra Benchehaima1, Michael Springborg2, Majda Sekkal Rahal1
1Laboratoire de Chimie Théorique de Bio- et Nanosystèmes (LCTBN), Faculty of Exact Sciences, University Djillali Liabes of Sidi Bel Abbès, Sidi Bel Abbes, Algeria.
Abstract:
Aldimine derivatives chromophores grafted on polyacetylene oligomers were first designed to investigate the nonlinear optical (NLO) response of the resulting materials using CAMB3LYP method. The effects of different factors such as the chain length separating the substitutions as well as the configurations and the orientations of these latter, were examined and discussed. In a second part of this paper, NLO responses, in particular the static hyperpolarizabilities of polyvinyl oligomers substituted by aldimine chromophores via carboxylic groups and by pyrrolidone groups were calculated for different configurations. The stability and the hydrogen bonding in each oligomer were also discussed.
Related Concept Videos
UV–Vis Spectroscopy: Woodward–Fieser Rules
Olefin Metathesis Polymerization: Acyclic Diene Metathesis (ADMET)
Similar to cross-metathesis, ADMET also involves the formation of metallacyclobutane intermediate by [2+2] cycloaddition of one of the double bonds of a terminal diene with...
Free-Radical Chain Reaction and Polymerization of Alkenes
IR and UV–Vis Spectroscopy of Aldehydes and Ketones
Polymer Classification: Crystallinity
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Polymer Classification: Stereospecificity

