On the separation of inter- and intramolecular elastic neutron scattering intensity

The case of liquid CS2

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The decomposition of coherent neutron scattering intensity into inter- and intramolecular contribution is widely used in the study of the structure of molecular liquids. The basic ideas behind this procedure are the following : i. Intramolecular distances are well-defined and generally shorter than intermolecular distances thus the scattering intensity at high-q values is essentially the Fourier-Bessel transform of the intramolecular distance distributions ii. The high-q part of the spectrum can be fitted uniquely by certain parameters relevant to the intramolecular structure. In order to check the reliability of this approximation the structure factor of liquid carbon disulfide has been investigated in detail. It was found that although the values of some molecular parameters (e.g. SS distance) depend significantly on the q-range used for fitting the intermolecular structure factor is not sensitive to these uncertainties.

Original languageEnglish
Pages (from-to)492-495
Number of pages4
JournalMaterials Science Forum
Volume321-324 I
Publication statusPublished - 2000

Fingerprint

Elastic scattering
Neutron scattering
elastic scattering
neutron scattering
Carbon Disulfide
Coherent scattering
Carbon disulfide
Liquids
liquids
intramolecular structures
Scattering
Decomposition
carbon disulfide
coherent scattering
decomposition
approximation
scattering
Uncertainty

Keywords

  • Liquid Diffraction
  • Molecular Form Factor
  • Pair Correlation Functions

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

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title = "On the separation of inter- and intramolecular elastic neutron scattering intensity: The case of liquid CS2",
abstract = "The decomposition of coherent neutron scattering intensity into inter- and intramolecular contribution is widely used in the study of the structure of molecular liquids. The basic ideas behind this procedure are the following : i. Intramolecular distances are well-defined and generally shorter than intermolecular distances thus the scattering intensity at high-q values is essentially the Fourier-Bessel transform of the intramolecular distance distributions ii. The high-q part of the spectrum can be fitted uniquely by certain parameters relevant to the intramolecular structure. In order to check the reliability of this approximation the structure factor of liquid carbon disulfide has been investigated in detail. It was found that although the values of some molecular parameters (e.g. SS distance) depend significantly on the q-range used for fitting the intermolecular structure factor is not sensitive to these uncertainties.",
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year = "2000",
language = "English",
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pages = "492--495",
journal = "Materials Science Forum",
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T1 - On the separation of inter- and intramolecular elastic neutron scattering intensity

T2 - The case of liquid CS2

AU - Jóvári, P.

PY - 2000

Y1 - 2000

N2 - The decomposition of coherent neutron scattering intensity into inter- and intramolecular contribution is widely used in the study of the structure of molecular liquids. The basic ideas behind this procedure are the following : i. Intramolecular distances are well-defined and generally shorter than intermolecular distances thus the scattering intensity at high-q values is essentially the Fourier-Bessel transform of the intramolecular distance distributions ii. The high-q part of the spectrum can be fitted uniquely by certain parameters relevant to the intramolecular structure. In order to check the reliability of this approximation the structure factor of liquid carbon disulfide has been investigated in detail. It was found that although the values of some molecular parameters (e.g. SS distance) depend significantly on the q-range used for fitting the intermolecular structure factor is not sensitive to these uncertainties.

AB - The decomposition of coherent neutron scattering intensity into inter- and intramolecular contribution is widely used in the study of the structure of molecular liquids. The basic ideas behind this procedure are the following : i. Intramolecular distances are well-defined and generally shorter than intermolecular distances thus the scattering intensity at high-q values is essentially the Fourier-Bessel transform of the intramolecular distance distributions ii. The high-q part of the spectrum can be fitted uniquely by certain parameters relevant to the intramolecular structure. In order to check the reliability of this approximation the structure factor of liquid carbon disulfide has been investigated in detail. It was found that although the values of some molecular parameters (e.g. SS distance) depend significantly on the q-range used for fitting the intermolecular structure factor is not sensitive to these uncertainties.

KW - Liquid Diffraction

KW - Molecular Form Factor

KW - Pair Correlation Functions

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M3 - Article

VL - 321-324 I

SP - 492

EP - 495

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JF - Materials Science Forum

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