Electron-density distribution - Revision history

KevinYager at 19:36, 28 January 2015

2015-01-28T19:36:12Z

KevinYager at 17:57, 20 January 2015

2015-01-20T17:57:08Z

KevinYager at 19:09, 16 December 2014

2014-12-16T19:09:10Z

KevinYager: /* References */

2014-12-16T19:07:15Z

‎References

KevinYager at 19:05, 16 December 2014

2014-12-16T19:05:01Z

KevinYager at 19:04, 16 December 2014

2014-12-16T19:04:15Z

KevinYager: Created page with "The '''electron-density distribution''' is the three-dimensional realspace density of the electrons in the material. Because electrons are quantum mechanics|quantum mech..."

2014-12-16T18:56:04Z

Created page with "The '''electron-density distribution''' is the three-dimensional realspace density of the electrons in the material. Because electrons are quantum mechanics|quantum mech..."

New page

The '''electron-density distribution''' is the three-dimensional [[realspace]] density of the electrons in the material. Because electrons are [[quantum mechanics|quantum mechanically]] [[wave packet|delocalized]], the total electron density is diffuse.

==References==
* Mads R. V. Jørgensen, Venkatesha R. Hathwar, Niels Bindzus, Nanna Wahlberg, Yu-Sheng Chen, Jacob Overgaard and Bo B. Iversen [http://journals.iucr.org/m/issues/2014/05/00/lc5060/index.html Contemporary X-ray electron-density studies using synchrotron radiation] ''IUCrJ'' '''2014''' 1 (5), 267-280 [http://dx.doi.org/10.1107/S2052252514018570 doi: 10.1107/S2052252514018570]

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 The electron distribution at a larger scale can be similarly reconstructed by fitting small-angle [[scattering]] data ([[SAXS]] or [[GISAXS]]). In this case, one is probing the average electron-density distribution at the nanoscale, without resolving the exact arrangement of electron-distribution (atoms) within this nanostructure. The specific electron-distribution within a measurement volume (as opposed to the average structure defined by a unit-cell) can be reconstructed using coherent methods such as [[CDI]] or [[ptychography]].
 ==References==
 * Philip Coppens, Bo Iversen, Finn Krebs Larsen [http://www.sciencedirect.com/science/article/pii/S0010854504000402 The use of synchrotron radiation in X-ray charge density analysis of coordination complexes] ''Coordination Chemistry Reviews'' '''2005''', 249 (1-2), 179-195 [http://dx.doi.org/10.1016/j.ccr.2004.02.019 doi: 10.1016/j.ccr.2004.02.019]
 * Mads R. V. Jørgensen, Venkatesha R. Hathwar, Niels Bindzus, Nanna Wahlberg, Yu-Sheng Chen, Jacob Overgaard and Bo B. Iversen [http://journals.iucr.org/m/issues/2014/05/00/lc5060/index.html Contemporary X-ray electron-density studies using synchrotron radiation] ''IUCrJ'' '''2014''' 1 (5), 267-280 [http://dx.doi.org/10.1107/S2052252514018570 doi: 10.1107/S2052252514018570]

← Older revision		Revision as of 17:57, 20 January 2015
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−	The '''electron-density distribution''' is the three-dimensional [[realspace]] arrangement of the electrons in the material. Because electrons are [[quantum mechanics\|quantum mechanically]] [[wave packet\|delocalized]], each electron occupies a 'fuzzy' region of space. The total electron density--the summation of the electron distribution for every electron in every atom--is thus inherently spread spatially; e.g a map of electron distribution will have diffuse boundaries. Nevertheless, when the electron distribution is visualized, it is often shown as a surface, representing an isosurface of constant electron-density.	+	The '''electron-density distribution''' is the three-dimensional [[realspace]] arrangement of the electrons in the material. Because electrons are [[quantum mechanics\|quantum mechanically]] [[wave packet\|delocalized]], each electron occupies a 'fuzzy' region of space ('''electron cloud'''). The total electron density--the summation of the electron distribution for every electron in every atom--is thus inherently spread spatially; e.g a map of electron distribution will have diffuse boundaries. Nevertheless, when the electron distribution is visualized, it is often shown as a surface, representing an isosurface of constant electron-density.

	The exact electron-density distribution within a [[unit cell]] of a crystal can be reconstructed by carefully fitting the peak heights measured in an [[x-ray]] [[diffraction]] experiment ([[crystallography\|crystallographic]] 'structure solution').		The exact electron-density distribution within a [[unit cell]] of a crystal can be reconstructed by carefully fitting the peak heights measured in an [[x-ray]] [[diffraction]] experiment ([[crystallography\|crystallographic]] 'structure solution').

@@ Line 3: / Line 3: @@
 The exact electron-density distribution within a [[unit cell]] of a crystal can be reconstructed by carefully fitting the peak heights measured in an [[x-ray]] [[diffraction]] experiment ([[crystallography|crystallographic]] 'structure solution').
-The electron distribution at a larger scale can be similarly reconstructed by fitting small-angle [[scattering]] data ([[SAXS]] or [[GISAXS]]). In this case, one is probing the average electron-density distribution at the nanoscale, without resolving the exact arrangement of electron-distribution (atoms) within this nanostructure.
+The electron distribution at a larger scale can be similarly reconstructed by fitting small-angle [[scattering]] data ([[SAXS]] or [[GISAXS]]). In this case, one is probing the average electron-density distribution at the nanoscale, without resolving the exact arrangement of electron-distribution (atoms) within this nanostructure. The specific electron-distribution within a measurement volume (as opposed to the average structure defined by a unit-cell) can be reconstructed using coherent methods such as [[CDI]] or [[ptychography]].
 ==References==
 * Philip Coppens, Bo Iversen, Finn Krebs Larsen [http://www.sciencedirect.com/science/article/pii/S0010854504000402 The use of synchrotron radiation in X-ray charge density analysis of coordination complexes] ''Coordination Chemistry Reviews'' '''2005''', 249 (1-2), 179-195 [http://dx.doi.org/10.1016/j.ccr.2004.02.019 doi: 10.1016/j.ccr.2004.02.019]
 * Mads R. V. Jørgensen, Venkatesha R. Hathwar, Niels Bindzus, Nanna Wahlberg, Yu-Sheng Chen, Jacob Overgaard and Bo B. Iversen [http://journals.iucr.org/m/issues/2014/05/00/lc5060/index.html Contemporary X-ray electron-density studies using synchrotron radiation] ''IUCrJ'' '''2014''' 1 (5), 267-280 [http://dx.doi.org/10.1107/S2052252514018570 doi: 10.1107/S2052252514018570]

← Older revision		Revision as of 19:07, 16 December 2014
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	==References==		==References==
		+	* Philip Coppens, Bo Iversen, Finn Krebs Larsen [http://www.sciencedirect.com/science/article/pii/S0010854504000402 The use of synchrotron radiation in X-ray charge density analysis of coordination complexes] ''Coordination Chemistry Reviews'' '''2005''', 249 (1-2), 179-195 [http://dx.doi.org/10.1016/j.ccr.2004.02.019 doi: 10.1016/j.ccr.2004.02.019]
	* Mads R. V. Jørgensen, Venkatesha R. Hathwar, Niels Bindzus, Nanna Wahlberg, Yu-Sheng Chen, Jacob Overgaard and Bo B. Iversen [http://journals.iucr.org/m/issues/2014/05/00/lc5060/index.html Contemporary X-ray electron-density studies using synchrotron radiation] ''IUCrJ'' '''2014''' 1 (5), 267-280 [http://dx.doi.org/10.1107/S2052252514018570 doi: 10.1107/S2052252514018570]		* Mads R. V. Jørgensen, Venkatesha R. Hathwar, Niels Bindzus, Nanna Wahlberg, Yu-Sheng Chen, Jacob Overgaard and Bo B. Iversen [http://journals.iucr.org/m/issues/2014/05/00/lc5060/index.html Contemporary X-ray electron-density studies using synchrotron radiation] ''IUCrJ'' '''2014''' 1 (5), 267-280 [http://dx.doi.org/10.1107/S2052252514018570 doi: 10.1107/S2052252514018570]

@@ Line 1: / Line 1: @@
 The '''electron-density distribution''' is the three-dimensional [[realspace]] arrangement of the electrons in the material. Because electrons are [[quantum mechanics|quantum mechanically]] [[wave packet|delocalized]], each electron occupies a 'fuzzy' region of space. The total electron density--the summation of the electron distribution for every electron in every atom--is thus inherently spread spatially; e.g a map of electron distribution will have diffuse boundaries. Nevertheless, when the electron distribution is visualized, it is often shown as a surface, representing an isosurface of constant electron-density.
-The exact electron-density distribution within a [[unit cell]] of a crystal can be reconstructed by carefully fitting the peak heights measured in an [[x-ray]] [[diffraction]] experiment ('structure solution').
+The exact electron-density distribution within a [[unit cell]] of a crystal can be reconstructed by carefully fitting the peak heights measured in an [[x-ray]] [[diffraction]] experiment ([[crystallography|crystallographic]] 'structure solution').
 The electron distribution at a larger scale can be similarly reconstructed by fitting small-angle [[scattering]] data ([[SAXS]] or [[GISAXS]]). In this case, one is probing the average electron-density distribution at the nanoscale, without resolving the exact arrangement of electron-distribution (atoms) within this nanostructure.