Experimental determination of deviation from spherical electron densities of atoms in cyclohexane molecules in the liquid state

Abstract Deviation from the spherical electron distribution of atoms in liquid cyclohexane has been determined through the difference interference term between the observed x-ray intermolecular interference term and the sum of the intermolecular partial structure factors weighted by x-ray atomic scattering factors. The difference distribution function indicates a broadened negative peak at r ∼ 3.7 Å, suggesting that the electron density decreases in the radial distance that corresponds to the intermolecular distances of neighboring cyclohexane molecules.

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Publication Details

Journal
Bulletin of the Chemical Society of Japan
Published
2024-12-19
DOI
https://doi.org/10.1093/bulcsj/uoae140
Primary Topic
Thermodynamic properties of mixtures
Type
article
Field-Weighted Citation Impact
0.00

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article

Experimental determination of deviation from spherical electron densities of atoms in cyclohexane molecules in the liquid state

Yuko Amo, T. Sato, Akira Takaku, Takeshi Usuki et al.
Bulletin of the Chemical Society of Japan
Thermodynamic properties of mixtures
article

Experimental determination of deviation from spherical electron densities of atoms in cyclohexane molecules in the liquid state

Yuko Amo, T. Sato, Akira Takaku, Takeshi Usuki, Takashi Honda, Kazuhiro Nawa, Yasuo Kameda, Toshiya Otomo
article en

Abstract

Abstract Deviation from the spherical electron distribution of atoms in liquid cyclohexane has been determined through the difference interference term between the observed x-ray intermolecular interference term and the sum of the intermolecular partial structure factors weighted by x-ray atomic scattering factors. The difference distribution function indicates a broadened negative peak at r ∼ 3.7 Å, suggesting that the electron density decreases in the radial distance that corresponds to the intermolecular distances of neighboring cyclohexane molecules.

Bulletin of the Chemical Society of JapanVol. 98(1)
Yamagata University (JP), High Energy Accelerator Research Organization (JP), Tohoku University (JP), Institute of Materials Structure Science (JP)
Instituto Mexicano del Seguro Social
Openalex Percentile: Top 80%
Thermodynamic properties of mixtures
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Experimental determination of deviation from spherical electron densities of atoms in cyclohexane molecules in the liquid state — Yuko Amo, T. Sato, et al. · Bulletin of the Chemical Society of Japan (2024) | TGRS Research Map | TGRS