Size dependency of soft X-ray emission spectra. Calculations on finite polyenes and polyacetylene

Yi Luo; Christoph Liegener; Hans Ågren

doi:10.1016/0009-2614(94)01427-W

Size dependency of soft X-ray emission spectra. Calculations on finite polyenes and polyacetylene

Yi Luo^*
, Christoph Liegener
, Hans Ågren

^*Corresponding author for this work

Linköping University

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

We explore the size dependency of soft X-ray emission spectra by means of Hartree-Fock calculations of polyenes up to C₂₈H₃₀ and by band structure calculations of the X-ray emission spectrum of polyacetylene. It appears that oligomers with a chain length of around ten unit cells display quite complex spectral features and show intensity in regions where neither the monomer nor the polymer have appreciable intensity. For the longer oligomers the spectra are simplified, and converge to a polymer spectrum with some remarkable molecular-like features.

Original language	English
Pages (from-to)	123-128
Number of pages	6
Journal	Chemical Physics Letters
Volume	233
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(94)01427-W
State	Published - 3 Feb 1995
Externally published	Yes

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title = "Size dependency of soft X-ray emission spectra. Calculations on finite polyenes and polyacetylene",

abstract = "We explore the size dependency of soft X-ray emission spectra by means of Hartree-Fock calculations of polyenes up to C28H30 and by band structure calculations of the X-ray emission spectrum of polyacetylene. It appears that oligomers with a chain length of around ten unit cells display quite complex spectral features and show intensity in regions where neither the monomer nor the polymer have appreciable intensity. For the longer oligomers the spectra are simplified, and converge to a polymer spectrum with some remarkable molecular-like features.",

author = "Yi Luo and Christoph Liegener and Hans {\AA}gren",

year = "1995",

month = feb,

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doi = "10.1016/0009-2614(94)01427-W",

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pages = "123--128",

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T1 - Size dependency of soft X-ray emission spectra. Calculations on finite polyenes and polyacetylene

AU - Luo, Yi

AU - Liegener, Christoph

AU - Ågren, Hans

PY - 1995/2/3

Y1 - 1995/2/3

N2 - We explore the size dependency of soft X-ray emission spectra by means of Hartree-Fock calculations of polyenes up to C28H30 and by band structure calculations of the X-ray emission spectrum of polyacetylene. It appears that oligomers with a chain length of around ten unit cells display quite complex spectral features and show intensity in regions where neither the monomer nor the polymer have appreciable intensity. For the longer oligomers the spectra are simplified, and converge to a polymer spectrum with some remarkable molecular-like features.

AB - We explore the size dependency of soft X-ray emission spectra by means of Hartree-Fock calculations of polyenes up to C28H30 and by band structure calculations of the X-ray emission spectrum of polyacetylene. It appears that oligomers with a chain length of around ten unit cells display quite complex spectral features and show intensity in regions where neither the monomer nor the polymer have appreciable intensity. For the longer oligomers the spectra are simplified, and converge to a polymer spectrum with some remarkable molecular-like features.

UR - https://www.scopus.com/pages/publications/0010673579

U2 - 10.1016/0009-2614(94)01427-W

DO - 10.1016/0009-2614(94)01427-W

M3 - 文章

AN - SCOPUS:0010673579

SN - 0009-2614

VL - 233

SP - 123

EP - 128

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Size dependency of soft X-ray emission spectra. Calculations on finite polyenes and polyacetylene

Abstract

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