A Universal Relation between Electron Density Minima and Atomic or Ionic Radii

On the basis of a multipole refinement of single-crystal X-ray diffraction data collected using an Ag source at 90 K to a resolution of 1.63 Å−1, a quantitative experimental charge density distribution has been obtained for fluorite (CaF2). The atoms-in-molecules integrated experimental charges for Ca2+and F−ions are +1.40 e and −0.70 e, respectively. The derived electron-density distribution, maximum electron-density paths, interaction lines and bond critical points along Ca2+...F−and F−...F−contacts revealed the character of these interactions. The Ca2+...F−interaction is clearly a closed shell and ionic in character. However, the F−...F−interaction has properties associated with the recently recognized type of interaction referred to as `charge-shift' bonding. This conclusion is supported by the topology of the electron localization function and analysis of the quantum theory of atoms in molecules and crystals topological parameters. The Ca2+...F−bonded radii – measured as distances from the centre of the ion to the critical point – are 1.21 Å for the Ca2+cation and 1.15 Å for the F−anion. These values are in a good agreement with the corresponding Shannon ionic radii. The F−...F−bond path and bond critical point is also found in the CaF2crystal structure. According to the quantum theory of atoms in molecules and crystals, this interaction is attractive in character. This is additionally supported by the topology of non-covalent interactions based on the reduced density gradient.

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Ions in Crystals: The Topology of the Electron Density in Ionic Materials. III. Geometry and Ionic Radii

The Journal of Physical Chemistry B ◽

10.1021/jp980906f ◽

1998 ◽

Vol 102 (36) ◽

pp. 6937-6948 ◽

Cited By ~ 69

Author(s):

A. Martín Pendás ◽

Aurora Costales ◽

Víctor Luaña

Keyword(s):

Electron Density ◽

Ionic Radii ◽

Ionic Materials

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Atomic and ionic radii: a comparison with radii derived from electron density distributions

Physics and Chemistry of Minerals ◽

10.1007/s002690050057 ◽

1997 ◽

Vol 24 (6) ◽

pp. 432-439 ◽

Cited By ~ 16

Author(s):

G. V. Gibbs ◽

Osamu Tamada ◽

M. B. Boisen Jr.

Keyword(s):

Electron Density ◽

Ionic Radii ◽

Density Distributions

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Electron density of KNiF3: analysis of the atomic interactions

Acta Crystallographica Section B Structural Science ◽

10.1107/s0108768199015529 ◽

2000 ◽

Vol 56 (2) ◽

pp. 197-203 ◽

Cited By ~ 8

Author(s):

Vladimir Tsirelson ◽

Yury Ivanov ◽

Elizabeth Zhurova ◽

Vladimir Zhurov ◽

Kiyoaki Tanaka

Keyword(s):

Electron Density ◽

Critical Points ◽

Topological Analysis ◽

Ionic Radii ◽

Bond Path ◽

Coordination Numbers ◽

Packed Layer ◽

Atomic Interactions ◽

Specific Shape ◽

Close Packed Layer

The topological analysis of the electron density in the perovskite KNiF3, potassium nickel trifluoride, based on the accurate X-ray diffraction data, has been performed. The topological picture of the atomic interactions differs from that resulting from the classic crystal chemistry consideration. The shapes of atoms in KNiF3 defined by zero-flux surfaces in the electron density are, in general, far from spherical. At the same time, their asphericity in the close-packed layer is very small. The topological coordination numbers of K and Ni are the same as the geometrical ones, whereas topological coordination for the F atom (6) differs from the geometrical value. The latter results from a specific shape of the Ni-atom basin preventing the bond-path formation between F atoms in the same atomic close-packed layer, in spite of the fact that the closest F—F distance is the same as K—F. Judging by the electron density value and curvature at the bond critical points, the K—F interaction in KNiF3 can be considered ionic, while the Ni—F bond belongs to the polar covalent type. No correlation of the topological ionic radii with crystal or ionic radii was found in KNiF3. Critical points in the electrostatic potential have also been studied.

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White-Light Coronal Structures: Streamers and CMEs

International Astronomical Union Colloquium ◽

10.1017/s0252921100025045 ◽

1994 ◽

Vol 144 ◽

pp. 82

Author(s):

E. Hildner

Keyword(s):

Emission Line ◽

Electron Density ◽

White Light ◽

Coronal Mass Ejections ◽

X Rays ◽

Solar Cycles ◽

Temperature Function ◽

X Ray ◽

Eclipse Observations ◽

Coronal Structures

AbstractOver the last twenty years, orbiting coronagraphs have vastly increased the amount of observational material for the whitelight corona. Spanning almost two solar cycles, and augmented by ground-based K-coronameter, emission-line, and eclipse observations, these data allow us to assess,inter alia: the typical and atypical behavior of the corona; how the corona evolves on time scales from minutes to a decade; and (in some respects) the relation between photospheric, coronal, and interplanetary features. This talk will review recent results on these three topics. A remark or two will attempt to relate the whitelight corona between 1.5 and 6 R⊙to the corona seen at lower altitudes in soft X-rays (e.g., with Yohkoh). The whitelight emission depends only on integrated electron density independent of temperature, whereas the soft X-ray emission depends upon the integral of electron density squared times a temperature function. The properties of coronal mass ejections (CMEs) will be reviewed briefly and their relationships to other solar and interplanetary phenomena will be noted.

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Glycogen in guinea pig neutrophils: Ultrastructural study of neutrophils at the intradermal site of BCG injection

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100077207 ◽

1983 ◽

Vol 41 ◽

pp. 726-727

Author(s):

Corazon D. Bucana

Keyword(s):

Bone Marrow ◽

Guinea Pig ◽

Electron Density ◽

Peritoneal Cavity ◽

Ultrastructural Study ◽

Guinea Pigs ◽

Random Distribution ◽

Glycogen Content ◽

Polymorphonuclear Neutrophils ◽

Ultrastructural Studies

In the circulating blood of man and guinea pigs, glycogen occurs primarily in polymorphonuclear neutrophils and platelets. The amount of glycogen in neutrophils increases with time after the cells leave the bone marrow, and the distribution of glycogen in neutrophils changes from an apparently random distribution to large clumps when these cells move out of the circulation to the site of inflammation in the peritoneal cavity. The objective of this study was to further investigate changes in glycogen content and distribution in neutrophils. I chose an intradermal site because it allows study of neutrophils at various stages of extravasation.Initially, osmium ferrocyanide and osmium ferricyanide were used to fix glycogen in the neutrophils for ultrastructural studies. My findings confirmed previous reports that showed that glycogen is well preserved by both these fixatives and that osmium ferricyanide protects glycogen from solubilization by uranyl acetate.I found that osmium ferrocyanide similarly protected glycogen. My studies showed, however, that the electron density of mitochondria and other cytoplasmic organelles was lower in samples fixed with osmium ferrocyanide than in samples fixed with osmium ferricyanide.

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Application of ruthenium red/osmium tetroxide to bacteria, plant and animal tissue

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100141998 ◽

1986 ◽

Vol 44 ◽

pp. 54-55

Author(s):

R. L. Grayson ◽

N. A. Rechcigl

Keyword(s):

Electron Microscopy ◽

Electron Density ◽

Osmium Tetroxide ◽

Biological Materials ◽

Ruthenium Red ◽

Animal Tissue

Ruthenium red (RR), an inorganic dye was found to be useful in electron microscopy where it can combine with osmium tetroxide (OsO4) to form a complex with attraction toward anionic substances. Although Martinez-Palomo et al. (1969) were one of the first investigators to use RR together with OsO4, our computor search has shown few applications of this combination in the intervening years. The purpose of this paper is to report the results of our investigations utilizing the RR/OsO4 combination to add electron density to various biological materials. The possible mechanisms by which this may come about has been well reviewed by previous investigators (1,3a,3b,4).

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A study on α-RuCl3 crystal structure by scanning tunneling microscopy

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100152124 ◽

1989 ◽

Vol 47 ◽

pp. 30-31

Author(s):

H.-J. Cantow ◽

H. Hillebrecht ◽

S. Magonov ◽

H. W. Rotter ◽

G. Thiele

Keyword(s):

Crystal Structure ◽

Density Distribution ◽

Scanning Tunneling Microscopy ◽

Electron Density ◽

Structure Determination ◽

Electron Density Distribution ◽

Scanning Tunneling ◽

Monoclinic Space Group ◽

Tunneling Microscopy ◽

X Ray

From X-ray analysis, the conclusions are drawn from averaged molecular informations. Thus, limitations are caused when analyzing systems whose symmetry is reduced due to interatomic interactions. In contrast, scanning tunneling microscopy (STM) directly images atomic scale surface electron density distribution, with a resolution up to fractions of Angstrom units. The crucial point is the correlation between the electron density distribution and the localization of individual atoms, which is reasonable in many cases. Thus, the use of STM images for crystal structure determination may be permitted. We tried to apply RuCl3 - a layered material with semiconductive properties - for such STM studies. From the X-ray analysis it has been assumed that α-form of this compound crystallizes in the monoclinic space group C2/m (AICI3 type). The chlorine atoms form an almost undistorted cubic closed package while Ru occupies 2/3 of the octahedral holes in every second layer building up a plane hexagon net (graphite net). Idealizing the arrangement of the chlorines a hexagonal symmetry would be expected. X-ray structure determination of isotypic compounds e.g. IrBr3 leads only to averaged positions of the metal atoms as there exist extended stacking faults of the metal layers.

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Improved immunolabelling of ultrathin cryosections using antibody conjugated with 1nm gold particles

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s042482010016220x ◽

1990 ◽

Vol 48 (3) ◽

pp. 928-929

Author(s):

Morten H. Nielsen ◽

Lone Bastholm

Keyword(s):

Pituitary Gland ◽

Liquid Nitrogen ◽

Electron Density ◽

Small Diameter ◽

Cytochemical Staining ◽

Gold Particles ◽

Labelling Density ◽

Ultrathin Cryosections ◽

Mouse Pituitary ◽

Electron Microscopical

During the last 5 years the diameter of the gold probes used for immuno-cytochemical staining at the electron microscopical (EM) level has been decreased. The advantage of small diameter gold probes is an overall increased labelling density. The disadvantage is a lower detectability due to the low electron density of smaller gold particles consequently an inconvenient high primary magnification needed for EM examination. Since 1 nm gold particles are barely visible by conventional EM examination the need for enlargement by silverenhancement of the gold particles has increased.In the present study of ultrathin cryosectioned material the results of immunostaining using 5 nm gold conjugated antibody and 1 nm gold conjugated antibodies are compared after silverenhancement of the 1 nm gold particles.Slices of freshly isolated mouse pituitary gland were immersion fixed for 20 min in 2 % glutaraldehyde /2 % paraformaldehyde. Blocks cryoprotected with 2.3 M sucrose were frozen in liquid nitrogen and ultra-cryosectioned on a RMC cryoultra-microtome.

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