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

被引：0

作者：

Kameda, Yasuo ^{[1
]}

Takaku, Akane ^{[1
]}

Amo, Yuko ^{[1
]}

Usuki, Takeshi ^{[1
]}

Nawa, Kazuhiro ^{[2
]}

Sato, Taku J. ^{[2
]}

Honda, Takashi ^{[3
]}

Otomo, Toshiya ^{[3
]}

机构：

[1] Yamagata Univ, Fac Sci, Kojirakawa Machi 1-4-12, Yamagata, Yamagata 9908560, Japan

[2] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, 2-1-1 Katahira,Aoba Ku, Sendai, Miyagi 9808577, Japan

[3] KEK, Inst Mat Struct Sci, 1-1 Oho, Tsukuba, Ibaraki 3050801, Japan

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 2025年 / 98卷 / 01期

关键词：

electron density; neutron diffraction; x-ray diffraction; STRETCHING VIBRATIONAL FREQUENCY; SCIENCE EXPERIMENTAL FACILITY; X-RAY-DIFFRACTION; NEUTRON-DIFFRACTION; AQUEOUS-SOLUTIONS; BOND-LENGTH; SCATTERING; COHERENT; WATER; D2O;

D O I：

10.1093/bulcsj/uoae140

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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 similar to 3.7 & Aring;, suggesting that the electron density decreases in the radial distance that corresponds to the intermolecular distances of neighboring cyclohexane molecules.

引用

页数：8

共 17 条

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[8] Vapor-liquid-liquid equilibrium and vapor-liquid equilibrium for the quaternary system water-ethanol-cyclohexane-toluene and the ternary system water-cyclohexane-toluene. Isobaric experimental determination at 101.3 kPa
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