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Toward the spectrum of free polyethylene : Linear alkanes studied by carbon 1s photoelectron spectroscopy and theory

Karlsen, Tor ; Børve, Knut J. ; Sæthre, Leif J. ; Wiesner, Karoline ; Bässler, Margit LU and Svensson, Svante LU (2002) In Journal of the American Chemical Society 124(26). p.7866-7873
Abstract

Trends in carbon 1s ionization energies for the linear alkanes have been investigated using third-generation synchrotron radiation. The study comprises CH4, C2H6, C3H8, C4H10, C5H12, C6H14, and C8H18. Both inter- and intramolecular shifts in ionization energy have been determined from gas-phase spectra and ab initio calculations. The shifts are decomposed into initial-state and final-state contributions and are shown to relate to the fundamental chemical properties of group electronegativity and polarizability. By extrapolation, we predict C1s spectra of larger n-alkanes, converging toward... (More)

Trends in carbon 1s ionization energies for the linear alkanes have been investigated using third-generation synchrotron radiation. The study comprises CH4, C2H6, C3H8, C4H10, C5H12, C6H14, and C8H18. Both inter- and intramolecular shifts in ionization energy have been determined from gas-phase spectra and ab initio calculations. The shifts are decomposed into initial-state and final-state contributions and are shown to relate to the fundamental chemical properties of group electronegativity and polarizability. By extrapolation, we predict C1s spectra of larger n-alkanes, converging toward isolated strands of polyethylene.

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author
; ; ; ; and
publishing date
type
Contribution to journal
publication status
published
in
Journal of the American Chemical Society
volume
124
issue
26
pages
8 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • pmid:12083942
  • scopus:0037014699
ISSN
0002-7863
DOI
10.1021/ja010649j
language
English
LU publication?
no
id
58e11bb3-c76a-4046-b22d-dd0cb38aee4e
date added to LUP
2020-10-29 17:38:27
date last changed
2024-01-02 20:14:15
@article{58e11bb3-c76a-4046-b22d-dd0cb38aee4e,
  abstract     = {{<p>Trends in carbon 1s ionization energies for the linear alkanes have been investigated using third-generation synchrotron radiation. The study comprises CH<sub>4</sub>, C<sub>2</sub>H<sub>6</sub>, C<sub>3</sub>H<sub>8</sub>, C<sub>4</sub>H<sub>10</sub>, C<sub>5</sub>H<sub>12</sub>, C<sub>6</sub>H<sub>14</sub>, and C<sub>8</sub>H<sub>18</sub>. Both inter- and intramolecular shifts in ionization energy have been determined from gas-phase spectra and ab initio calculations. The shifts are decomposed into initial-state and final-state contributions and are shown to relate to the fundamental chemical properties of group electronegativity and polarizability. By extrapolation, we predict C1s spectra of larger n-alkanes, converging toward isolated strands of polyethylene.</p>}},
  author       = {{Karlsen, Tor and Børve, Knut J. and Sæthre, Leif J. and Wiesner, Karoline and Bässler, Margit and Svensson, Svante}},
  issn         = {{0002-7863}},
  language     = {{eng}},
  month        = {{07}},
  number       = {{26}},
  pages        = {{7866--7873}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of the American Chemical Society}},
  title        = {{Toward the spectrum of free polyethylene : Linear alkanes studied by carbon 1s photoelectron spectroscopy and theory}},
  url          = {{http://dx.doi.org/10.1021/ja010649j}},
  doi          = {{10.1021/ja010649j}},
  volume       = {{124}},
  year         = {{2002}},
}