Vibrational spectrum of chain molecules with conformational disorder: polyethylene

Zerbi, G.; Piseri, L.; Cabassi, Franco

doi:10.1080/00268977100102521

Cited by 82 publications

(17 citation statements)

References 41 publications

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“…Calculated spectra of nC12H26 are shown in Figure 1. In contrast to previous treatments of conformation ally irregular n-alkanes (23,156,161), these calculated results can be directly applied to experiment. Scherer & Snyder (166) have used calculated Raman intensities of n-alkanes containing up to three non trans bonds to estimate the energy difference between trans and gauche rotational isomers.…”

Section: Recently Mazur and Fanconimentioning

confidence: 92%

“…The Green's function method of Lipshitz, which has been extensively used to describe defects in inorganic materials, has been investigated by Schmid & Holzl (141,153,154) and by Kozyrenko et al (142,155) for application to chemical and conformational defects in polymers. The numerical method has been extensively used by Zerbi and co-workers (140,(156)(157)(158)(159).…”

Section: Theoretical Methods and Models Of Defectsmentioning

confidence: 99%

“…Analysis of defect conformations in polyethylene of the G, GTG, GTG', GTTG, and GGTGG type were carried out by Zerbi et al (156) using the negative eigenvalue theorem on a chain of 200 CH2 groups.…”

Section: Recently Mazur and Fanconimentioning

confidence: 99%

“…Zerbi and co-workers have taken this method over to polymers and have treated conformational type disorders in polyethylene (156,159,164), polytetrafluoroethylene (157), and polyvinyl chloride (165). As an indication of the size of the dynamical matrix involved in these calculations, consider polyethylene where 200 CH2 groups have been treated (156), which led to dynamical matrices of the order of 1800x 1800. This numerical method yields the number of frequencies lying in a particular frequency interval and exact frequency values are not determined.…”

mentioning

confidence: 99%

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Molecular Vibrations of Polymers

Fanconi¹

1980

Annu. Rev. Phys. Chem.

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Section: Recently Mazur and Fanconimentioning

confidence: 92%

Section: Theoretical Methods and Models Of Defectsmentioning

confidence: 99%

Section: Recently Mazur and Fanconimentioning

confidence: 99%

mentioning

confidence: 99%

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Molecular Vibrations of Polymers

Fanconi¹

1980

Annu. Rev. Phys. Chem.

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“…When conformational disorder is considered, the vibrational problem becomes more complicated [32,36], and vibrational spectra become more complex. Nevertheless, regularity and band progressions are still observed for spectral series of conformationally disordered alkanes [5,35], because some vibrations are rather insensitive to the introduction of one or even a few gauche bonds [35].…”

Section: N-alkane Vibrations Relevant To This Workmentioning

confidence: 99%

Unbranched n-Alkanes

Lüttschwager

2014

Raman Spectroscopy of Conformational Rearrangements at Low Temperatures

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In this chapter, the Raman spectroscopic investigation of n-alkane self-solvation will be presented. To support the later analysis, the first section discusses the conformational isomerism of n-alkanes in general and addresses the question to which temperature alkanes must be cooled to work out low-energy conformations. Section 4.2 outlines the vibrational degrees of freedom of unbranched n-alkanes to facilitate the assignment of Raman jet spectra. In Sect. 4.3, the simulation of Raman jet spectra which aid the assignment and provide conformational temperatures is discussed. Raman jet spectra are presented and assigned subsequently in Sect. 4.4. The chapter closes with the determination of the critical folding chain length (n c ) based on the experimental findings and a discussion of computational predictions.

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Measurement of the Physical Characteristics of Polymers

Tashiro

2001

Handbook of Vibrational Spectroscopy

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The sections in this article are Introduction Characteristics of Vibrational Spectra of Polymer Solids Conformation‐Sensitive Bands Crystallinity‐Sensitive Bands and Critical Sequence Length Chain Packing Mode in the Crystal Lattice and Spectral Profile Density of Vibrational State and the Dispersion Curve Accordion Motion Molecular Chain Orientation Morphology and Infrared Spectra of Polymers Spectroscopic Study of Structural Changes in Phase Transitions Measurement Techniques How to Control Temperature for Spectroscopic Measurements Temperature Jump Technique Spectroscopic Studies of Phase Transitions Thermally Induced Phase Transitions of Vinylidene Fluoride Copolymers Isothermal Crystallization of PE from the Melt Solvent‐Induced Crystallization of s PS Glass Stress‐Induced Phase Transition of Poly(butylene terephthalate) and Elastic Rubbers Mechanical Properties and Vibrational Spectra of Polymers Molecular Deformation of a Polymer Crystal Under Tensile Stress Experimental Proof of Theoretically Predicted Atomic Displacements Simultaneous Measurements of Vibrational Spectra and Other Techniques Combination of a Viscoelastometer with FT ‐ IR Spectroscopy Summary

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Vibrational spectrum of chain molecules with conformational disorder: polyethylene

Cited by 82 publications

References 41 publications

Molecular Vibrations of Polymers

Molecular Vibrations of Polymers

Unbranched n-Alkanes

Measurement of the Physical Characteristics of Polymers

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