Inter-molecular correlations in liquid Se2Br2

Hironori Shimakura, Yukinobu Kawakita, Koji Ohara, L. Pusztai, Yuiko Wakisaka, Shin'Ichi Takeda

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The structure of molecular liquid Se2Br2 was analyzed by means of reverse Monte Carlo structural modeling, using a calculation based on high-energy x-ray diffraction data. It was found that, between the optical isomers of L and D types, the number of L-D neighboring molecular pairs increases, while that of the L-L and D-D pairs decreases with increasing temperature. From this temperature dependence and from the relaxation mode analysis of quasi-elastic neutron scattering spectra, it is reasonable to assume that the presence of L-D pairs relates to genuine inter-molecular interactions while the L-L and D-D pairs appear due to geometrical packing of the gauche-shaped molecules.

Original languageEnglish
Article number454221
JournalJournal of Physics Condensed Matter
Volume25
Issue number45
DOIs
Publication statusPublished - Nov 13 2013

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molecular interactions
elastic scattering
neutron scattering
x ray diffraction
isomers
temperature dependence
Elastic scattering
Molecular interactions
Liquids
liquids
Neutron scattering
Isomers
molecules
Diffraction
X rays
Temperature
Molecules
temperature
energy
Fumigant 93

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)

Cite this

Shimakura, H., Kawakita, Y., Ohara, K., Pusztai, L., Wakisaka, Y., & Takeda, SI. (2013). Inter-molecular correlations in liquid Se2Br2 Journal of Physics Condensed Matter, 25(45), [454221]. https://doi.org/10.1088/0953-8984/25/45/454221

Inter-molecular correlations in liquid Se2Br2 . / Shimakura, Hironori; Kawakita, Yukinobu; Ohara, Koji; Pusztai, L.; Wakisaka, Yuiko; Takeda, Shin'Ichi.

In: Journal of Physics Condensed Matter, Vol. 25, No. 45, 454221, 13.11.2013.

Research output: Contribution to journalArticle

Shimakura, H, Kawakita, Y, Ohara, K, Pusztai, L, Wakisaka, Y & Takeda, SI 2013, 'Inter-molecular correlations in liquid Se2Br2 ', Journal of Physics Condensed Matter, vol. 25, no. 45, 454221. https://doi.org/10.1088/0953-8984/25/45/454221
Shimakura, Hironori ; Kawakita, Yukinobu ; Ohara, Koji ; Pusztai, L. ; Wakisaka, Yuiko ; Takeda, Shin'Ichi. / Inter-molecular correlations in liquid Se2Br2 In: Journal of Physics Condensed Matter. 2013 ; Vol. 25, No. 45.
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