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208:, provide, respectively, important supporting information about the numbers and adjacencies of multiple bonds, and about the types of functional groups (whose internal bonding gives vibrational signatures); further inferential studies that give insight into the contributing electronic structure of molecules include
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spectroscopes may also be performed. These latter techniques become all the more important when the molecules contain metal atoms, and when the crystals required by crystallography or the specific atom types that are required by NMR are unavailable to exploit in the structure determination. Finally,
156:, one generally aims to obtain, first and minimally, the pattern and degree of bonding between all atoms in the molecule; when possible, one seeks the three dimensional spatial coordinates of the atoms in the molecule (or other solid).
130:, among others, from about 1858. These theories were first to state that chemical compounds are not a random cluster of atoms and functional groups, but rather had a definite order defined by the
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Concerning chemical structure, one has to distinguish between pure connectivity of the atoms within a molecule (chemical constitution), a description of a three-dimensional arrangement (
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composing the molecule, giving the molecules a three dimensional structure that could be determined or solved.
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494:. Morrison, Carole A., 1972-, Mitzel, Norbert W., 1966-. Chichester, West Sussex, United Kingdom.
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91:. Structure determination can be applied to a range of targets from very simple molecules (e.g.,
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of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of
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Additional sources of information are: When a molecule has an unpaired electron spin in a
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Gallagher, Warren (2006). "Lecture 7: Structure
Determination by X-ray Crystallography".
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227:(and other rotationally resolved spectroscopy) and for the crystalline solid state by
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concerning precise metric three-dimensional information: can be obtained for gases by
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192:(to give overall molecular mass, as well as fragment masses).Techniques such as
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Molecules and Models: The
Molecular Structures of Main Group Element Compounds
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The methods by which one can determine the structure of a molecule is called
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Ward, S. C.; Lightfoot, M. P.; Bruno, I. J.; Groom, C. R. (April 1, 2016).
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Chemical
Bonding and Molecular Geometry: From Lewis to Electron Densities
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Valency and
Bonding: A Natural Bond Orbital Donor-Acceptor Perspective
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These technique can produce three-dimensional models at atomic-scale
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A data base for experimental structures determined in the gas phase
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36th congress of the German physicians and scientists 1861
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that hold the atoms together and can be represented using
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Wells, A. F. (Alexander Frank), 1912- (July 12, 2012).
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Theories of chemical structure were first developed by
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and their chemical bonds. Its determination includes a
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Organized way in which molecules are ordered and sorted
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Crystal structure analysis for chemists and biologists
491:
Structural methods in molecular inorganic chemistry
384:Gillespie, Ronald J.; Popelier, Paul L. A. (2001).
543:. Lewis, Mitchell., Rossi, Miriam. New York: VCH.
355:. Cambridge, UK: Cambridge University Press.
8:
466:) CS1 maint: multiple names: authors list (
172:concerning only connectivity of the atoms:
522:: CS1 maint: location missing publisher (
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349:Weinhold, Frank; Landis, Clark R. (2005).
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488:Rankin, David W. H. (January 2, 2013).
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102:) to very complex ones (e.g., such as
63:and, when feasible and necessary, the
390:. New York: Oxford University Press.
7:
483:
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600:"The Cambridge Structural Database"
320:. Oxford: Oxford University Press.
259:are also applicable in some cases.
225:microwave (rotational) spectroscopy
537:Glusker, Jenny Pickworth. (1994).
25:
255:more specialized methods such as
604:Acta Crystallographica Section B
214:X-ray photoelectron spectroscopy
51:is a spatial arrangement of its
579:Chem 406: Biophysical Chemistry
145:, includes e.g. information on
431:Structural inorganic chemistry
18:Chemical structure elucidation
1:
152:In determining structures of
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434:(Fifth ed.). Oxford.
274:Chemical structure diagram
198:vibrational spectroscopies
178:nuclear magnetic resonance
168:. These methods include:
617:10.1107/S2052520616003954
290:Pauli exclusion principle
279:Crystallographic database
295:Chemical graph generator
221:gas electron diffraction
39:chemical structure in 2D
252:electron-spin resonance
232:or neutron diffraction.
194:absorption spectroscopy
143:molecular configuration
314:Haaland, Arne (2008).
188:), various methods of
166:structural elucidation
160:Structural elucidation
124:Archibald Scott Couper
40:
229:X-ray crystallography
35:
661:Analytical chemistry
269:Structural chemistry
65:electronic structure
37:Phosphorus pentoxide
666:Chemical structures
257:electron microscopy
81:structural formulae
246:of its structure,
210:cyclic voltammetry
154:chemical compounds
128:Aleksandr Butlerov
89:molecular orbitals
61:molecular geometry
59:'s specifying the
45:chemical structure
41:
501:978-1-118-46288-1
441:978-0-19-965763-6
327:978-0-19-923535-3
190:mass spectrometry
16:(Redirected from
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655:Categories
301:References
236:resolution
114:Background
626:2052-5206
518:cite book
510:810442747
458:cite book
450:801026482
336:173809048
147:chirality
644:27048719
559:25412161
406:43552798
371:59712377
263:See also
202:infrared
196:and the
176:such as
100:nitrogen
93:diatomic
75:and the
73:molecule
49:molecule
635:4822653
589:July 2,
284:MOGADOC
134:of the
132:valency
104:protein
83:and by
57:chemist
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182:proton
126:, and
96:oxygen
583:(PDF)
248:ENDOR
206:Raman
136:atoms
71:in a
69:atoms
53:atoms
47:of a
640:PMID
622:ISSN
591:2014
555:OCLC
545:ISBN
524:link
506:OCLC
496:ISBN
472:link
468:link
464:link
446:OCLC
436:ISBN
402:OCLC
392:ISBN
367:OCLC
357:ISBN
332:OCLC
322:ISBN
250:and
223:and
212:and
204:and
184:and
630:PMC
612:doi
110:).
108:DNA
106:or
98:or
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